In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2008 | 24 | Yes |
Popular Name: 1-benzyl-4-[(1S)-2-hydroxy-1-phenyl-ethyl]-1,4-diazepan-5-one 1-benzyl-4-[(1S)-2-hydroxy-1-phe…
None
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) | 2.17 | 8.78 | -52.05 | 2 | 4 | 1 | 45 | 325.432 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.17 | 6.76 | -10.95 | 1 | 4 | 0 | 44 | 324.424 | 5 | ↓ |