| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 22nd, 2010 | 19 | Yes |
Popular Name: (4S)-1-[(1S)-1-(o-tolyl)ethyl]-4,5,6,7-tetrahydroindol-4-amine (4S)-1-[(1S)-1-(o-tolyl)ethyl]-4…
| 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) | 1.52 | 8.25 | -39.89 | 3 | 2 | 1 | 33 | 255.385 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 7.93 | -5.02 | 2 | 2 | 0 | 31 | 254.377 | 2 | ↓ |
Popular Name: 1-benzyl-2-ethyl-4,5,6,7-tetrahydro-1H-indol-4-amine 1-benzyl-2-ethyl-4,5,6,7-tetrahy…
| 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) | 1.55 | 8.36 | -39.52 | 3 | 2 | 1 | 33 | 255.385 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.55 | 8.05 | -5.19 | 2 | 2 | 0 | 31 | 254.377 | 3 | ↓ |
Popular Name: 1-benzyl-2-ethyl-4,5,6,7-tetrahydro-1H-indol-4-amine 1-benzyl-2-ethyl-4,5,6,7-tetrahy…
| 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) | 1.55 | 8.45 | -38.82 | 3 | 2 | 1 | 33 | 255.385 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.55 | 8.12 | -4.91 | 2 | 2 | 0 | 31 | 254.377 | 3 | ↓ |
