In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2009 | 30 | 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) | 4.57 | 16.82 | -12.49 | 2 | 10 | 0 | 124 | 471.319 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.57 | 17.19 | -37.19 | 3 | 10 | 1 | 125 | 472.327 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.57 | 17.11 | -39.33 | 3 | 10 | 1 | 125 | 472.327 | 8 | ↓ |