In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 7th, 2008 | 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) | 4.83 | 10.7 | -20.85 | 2 | 6 | 0 | 76 | 477.992 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.83 | 12.3 | -42.19 | 3 | 6 | 1 | 78 | 479 | 9 | ↓ |