In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 2nd, 2010 | 29 | 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) | -1.86 | 2.05 | -67.15 | 4 | 9 | -1 | 145 | 418.451 | 6 | ↓ |
Lo Low (pH 4.5-6) | -1.86 | 2.38 | -94.72 | 5 | 9 | 0 | 147 | 419.459 | 6 | ↓ |