| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 20 | Yes |
Popular Name: (2S)-N-[2-(aminomethyl)phenyl]-2-[(3S)-3-hydroxy-1-piperidyl]propanamide (2S)-N-[2-(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) | 0.37 | 2.26 | -106.71 | 6 | 5 | 2 | 81 | 279.384 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.37 | 1.72 | -33.87 | 5 | 5 | 1 | 80 | 278.376 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
