In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2008 | 23 | 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) | 1.88 | 7.97 | -113.68 | 2 | 6 | 2 | 61 | 317.437 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.88 | 8.76 | -177.4 | 3 | 6 | 3 | 62 | 318.445 | 7 | ↓ |