| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 21 | Yes |
Popular Name: (2S)-N-[3-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide (2S)-N-[3-(aminomethyl)phenyl]-2…
| 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) | 0.90 | 3.46 | -89.99 | 5 | 5 | 2 | 64 | 292.427 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 0.8 | -10.04 | 3 | 5 | 0 | 62 | 290.411 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 1.21 | -55.42 | 4 | 5 | 1 | 63 | 291.419 | 5 | ↓ |
