In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 28th, 2008 | 32 | 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) | -1.96 | 5.78 | -127.52 | 6 | 12 | -2 | 205 | 442.432 | 9 | ↓ |
Lo Low (pH 4.5-6) | -1.96 | 3.8 | -70.57 | 7 | 12 | -1 | 202 | 443.44 | 9 | ↓ |