In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 25th, 2008 | 37 | 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) | 4.47 | 9.43 | -105.8 | 0 | 9 | -2 | 134 | 498.491 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.01 | 12.09 | -61.95 | 1 | 9 | -1 | 131 | 499.499 | 7 | ↓ |