| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 7th, 2011 | 22 | Yes |
Popular Name: 1-[4-[(2S)-2-hydroxy-2-phenyl-ethyl]-1,4-diazepan-1-yl]-2,2-dimethyl-propan-1-one 1-[4-[(2S)-2-hydroxy-2-phenyl-et…
| 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) | 2.34 | 7.49 | -44.48 | 2 | 4 | 1 | 45 | 305.442 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 5.58 | -10.2 | 1 | 4 | 0 | 44 | 304.434 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
