In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2009 | 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) | 3.48 | 9.66 | -18.45 | 1 | 7 | 0 | 75 | 418.497 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.48 | 10.01 | -48.85 | 2 | 7 | 1 | 76 | 419.505 | 8 | ↓ |