In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 30 | No |
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) | 4.31 | 13.08 | -76.16 | 1 | 5 | 0 | 65 | 471.395 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.31 | 12.19 | -48.94 | 2 | 5 | 1 | 62 | 472.403 | 7 | ↓ |