In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2011 | 18 | Yes |
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) | 3.03 | 7.63 | -4.85 | 2 | 4 | 0 | 56 | 250.342 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.03 | 7.41 | -26.31 | 3 | 4 | 1 | 57 | 251.35 | 7 | ↓ |