In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 36 | 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) | 1.68 | 10.32 | -22.13 | 1 | 9 | 0 | 100 | 488.592 | 9 | ↓ |
Lo Low (pH 4.5-6) | 1.68 | 10.73 | -49.03 | 2 | 9 | 1 | 102 | 489.6 | 9 | ↓ |