In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2006 | 31 | 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) | 4.45 | 11.36 | -13.01 | 2 | 8 | 0 | 94 | 418.501 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.62 | 11.65 | -34.44 | 3 | 8 | 1 | 99 | 419.509 | 6 | ↓ |