| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2011 | 24 | Yes |
Popular Name: (2S)-2-[4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]propanamide (2S)-2-[4-[3-(4-methoxyphenyl)pr…
| 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) | 1.83 | 5.78 | -44.01 | 3 | 6 | 1 | 77 | 334.44 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 4.15 | -15.34 | 2 | 6 | 0 | 76 | 333.432 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
