In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 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) | 3.85 | 10.08 | -16.88 | 1 | 7 | 0 | 81 | 447.63 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.85 | 11.22 | -37.23 | 2 | 7 | 1 | 83 | 448.638 | 8 | ↓ |