In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 13th, 2010 | 32 | 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) | 2.94 | 11.8 | -47.3 | 2 | 7 | 1 | 64 | 438.596 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.94 | 13.36 | -131.09 | 3 | 7 | 2 | 65 | 439.604 | 7 | ↓ |