In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2009 | 23 | Yes |
Popular Name: 4-oxo-N-[2-(3-pyridyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide 4-oxo-N-[2-(3-pyridyl)ethyl]-3,5…
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 | 4.97 | -19.27 | 2 | 5 | 0 | 71 | 327.409 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.37 | 5.42 | -50.78 | 3 | 5 | 1 | 72 | 328.417 | 4 | ↓ |