In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 35 | 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) | 6.28 | 14.98 | -18.81 | 0 | 6 | 0 | 57 | 471.601 | 10 | ↓ |
Lo Low (pH 4.5-6) | 6.28 | 15.19 | -25.56 | 1 | 6 | 1 | 58 | 472.609 | 10 | ↓ |