In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 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) | 2.08 | 5.62 | -15.2 | 3 | 6 | 0 | 94 | 411.437 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.08 | 6.09 | -44.41 | 4 | 6 | 1 | 95 | 412.445 | 5 | ↓ |