| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-N-ethyl-2-(4-isopropylpiperazin-1-yl)indan-1-amine (1S,2S)-N-ethyl-2-(4-isopropylpi…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.63 | 7.79 | -95.83 | 3 | 3 | 2 | 24 | 289.467 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 5.58 | -36.08 | 2 | 3 | 1 | 23 | 288.459 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 7.75 | -116.26 | 3 | 3 | 2 | 24 | 289.467 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 6.98 | -33.37 | 2 | 3 | 1 | 20 | 288.459 | 4 | ↓ |
Popular Name: (1S,2R)-N-methyl-2-(4-methylpiperazin-1-yl)indan-1-amine (1S,2R)-N-methyl-2-(4-methylpipe…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.58 | 7.04 | -92.33 | 3 | 3 | 2 | 24 | 247.386 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 4.84 | -30.1 | 2 | 3 | 1 | 20 | 246.378 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 5.79 | -113.24 | 3 | 3 | 2 | 24 | 247.386 | 2 | ↓ |
Popular Name: (1R,2R)-N-methyl-2-(4-methylpiperazin-1-yl)indan-1-amine (1R,2R)-N-methyl-2-(4-methylpipe…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.58 | 5.77 | -94.41 | 3 | 3 | 2 | 24 | 247.386 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 4.38 | -34.31 | 2 | 3 | 1 | 20 | 246.378 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 5.61 | -113.39 | 3 | 3 | 2 | 24 | 247.386 | 2 | ↓ |
Popular Name: (1S,2S)-N-methyl-2-(4-methylpiperazin-1-yl)indan-1-amine (1S,2S)-N-methyl-2-(4-methylpipe…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.58 | 5.77 | -98.16 | 3 | 3 | 2 | 24 | 247.386 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 4.73 | -32.82 | 2 | 3 | 1 | 20 | 246.378 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 5.58 | -116.02 | 3 | 3 | 2 | 24 | 247.386 | 2 | ↓ |
Popular Name: (1R,2S)-N-methyl-2-(4-methylpiperazin-1-yl)indan-1-amine (1R,2S)-N-methyl-2-(4-methylpipe…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.58 | 6.79 | -95.34 | 3 | 3 | 2 | 24 | 247.386 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 5.09 | -34.2 | 2 | 3 | 1 | 20 | 246.378 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 6.39 | -115.18 | 3 | 3 | 2 | 24 | 247.386 | 2 | ↓ |
