| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2009 | 21 | No |
Popular Name: (2S)-2-methyl-N-[(4-nitrophenyl)methyl]-3-(1-piperidyl)propan-1-amine (2S)-2-methyl-N-[(4-nitrophenyl)…
| 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) | 3.14 | 10.63 | -125.58 | 3 | 5 | 2 | 67 | 293.411 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 7.48 | -6.19 | 1 | 5 | 0 | 61 | 291.395 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 8.7 | -57.7 | 2 | 5 | 1 | 66 | 292.403 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.14 | 9.41 | -41 | 2 | 5 | 1 | 62 | 292.403 | 7 | ↓ |
