| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2009 | 21 | Yes |
Popular Name: N-[(1R,2R,5R)-2-(aminomethyl)-5-tert-butyl-cyclohexyl]-N,1-dimethyl-piperidin-4-amine N-[(1R,2R,5R)-2-(aminomethyl)-5-…
| 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) | 2.67 | 5.93 | -116.72 | 4 | 3 | 2 | 35 | 297.531 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.67 | 6.53 | -87.87 | 4 | 3 | 2 | 35 | 297.531 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.67 | 8.35 | -195.47 | 5 | 3 | 3 | 37 | 298.539 | 4 | ↓ |
Popular Name: (3R,4S)-N,3-dimethyl-1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-amine (3R,4S)-N,3-dimethyl-1-[[(1R,2R)…
| 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) | 3.52 | 7.71 | -32.87 | 2 | 2 | 1 | 16 | 239.427 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 7.33 | -35.69 | 2 | 2 | 1 | 20 | 239.427 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 8.82 | -101.13 | 3 | 2 | 2 | 21 | 240.435 | 3 | ↓ |
Popular Name: (3R,4S)-N,3-dimethyl-1-[[(1R,2S)-2-methylcyclohexyl]methyl]piperidin-4-amine (3R,4S)-N,3-dimethyl-1-[[(1R,2S)…
| 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) | 3.52 | 7.47 | -33.12 | 2 | 2 | 1 | 16 | 239.427 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 7.03 | -35.63 | 2 | 2 | 1 | 20 | 239.427 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 8.58 | -101.37 | 3 | 2 | 2 | 21 | 240.435 | 3 | ↓ |
