In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 33 | 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) | 4.00 | 11.42 | -21.21 | 0 | 7 | 0 | 84 | 457.873 | 1 | ↓ |
Lo Low (pH 4.5-6) | 4.00 | 12.17 | -35.96 | 1 | 7 | 1 | 85 | 458.881 | 1 | ↓ |