In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2007 | 29 | 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) | 4.55 | -1.22 | -12.35 | 0 | 5 | 0 | 57 | 425.941 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.55 | -1.18 | -32.9 | 1 | 5 | 1 | 58 | 426.949 | 2 | ↓ |