| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 21 | Yes |
Popular Name: N-[3-(aminomethyl)phenyl]-4-[(3S)-3-hydroxy-1-piperidyl]butanamide N-[3-(aminomethyl)phenyl]-4-[(3S…
| 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) | 0.61 | 2.84 | -95.46 | 6 | 5 | 2 | 81 | 293.411 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.61 | 2.44 | -42.02 | 5 | 5 | 1 | 80 | 292.403 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
