In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 9th, 2010 | 39 | 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) | 4.05 | 11.43 | -71.58 | 2 | 8 | 0 | 104 | 530.621 | 12 | ↓ |
Lo Low (pH 4.5-6) | 4.05 | 10.68 | -47.5 | 3 | 8 | 1 | 101 | 531.629 | 12 | ↓ |