In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2009 | 34 | 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) | 7.53 | 15.17 | -112.01 | 0 | 4 | -2 | 80 | 466.662 | 9 | ↓ |
Lo Low (pH 4.5-6) | 7.53 | 14.05 | -56.46 | 1 | 4 | -1 | 77 | 467.67 | 9 | ↓ |