In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2009 | 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) | 3.79 | 14.05 | -72.75 | 1 | 7 | 0 | 87 | 499.611 | 12 | ↓ |
Lo Low (pH 4.5-6) | 3.79 | 12.76 | -59.04 | 2 | 7 | 1 | 84 | 500.619 | 12 | ↓ |