| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 21 | Yes |
Popular Name: (3S)-3-[4-(2-aminophenyl)piperazin-1-yl]azepan-2-one (3S)-3-[4-(2-aminophenyl)piperaz…
| 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) | 1.37 | 3.01 | -7.96 | 3 | 5 | 0 | 62 | 288.395 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.37 | 2.87 | -41.23 | 4 | 5 | 1 | 63 | 289.403 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
