In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 38 | 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) | 2.43 | 6.7 | -74.29 | 3 | 9 | -1 | 142 | 515.542 | 12 | ↓ |
Lo Low (pH 4.5-6) | 2.43 | 5.95 | -28.12 | 4 | 9 | 0 | 139 | 516.55 | 12 | ↓ |