In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 34 | 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) | 5.81 | 10.12 | -59.5 | 2 | 4 | -1 | 81 | 471.702 | 1 | ↓ |
Lo Low (pH 4.5-6) | 5.81 | 8.17 | -9.47 | 3 | 4 | 0 | 78 | 472.71 | 1 | ↓ |