In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 28 | 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) | 1.94 | 7.38 | -20.94 | 1 | 8 | 0 | 91 | 421.548 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.94 | 8.52 | -40.97 | 2 | 8 | 1 | 92 | 422.556 | 7 | ↓ |