In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2009 | 33 | 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) | 3.29 | 7.84 | -13.35 | 3 | 7 | 0 | 92 | 463.969 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.29 | 8.17 | -42.25 | 4 | 7 | 1 | 93 | 464.977 | 6 | ↓ |