In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2008 | 27 | Yes |
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) | 1.97 | -2.33 | -49.5 | 2 | 9 | 1 | 97 | 367.437 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.97 | -2.24 | -126.95 | 3 | 9 | 2 | 99 | 368.445 | 5 | ↓ |