In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2009 | 33 | Yes |
Popular Name: 7-(4-benzhydrylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one 7-(4-benzhydrylpiperazine-1-carb…
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) | 3.65 | 10.95 | -13.31 | 1 | 5 | 0 | 53 | 457.599 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.65 | 12.72 | -53.38 | 2 | 5 | 1 | 54 | 458.607 | 4 | ↓ |