In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 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) | 5.97 | 14.78 | -59.75 | 0 | 6 | -1 | 79 | 516.589 | 11 | ↓ |
Lo Low (pH 4.5-6) | 5.97 | 14.03 | -17.44 | 1 | 6 | 0 | 76 | 517.597 | 11 | ↓ |