In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 7th, 2009 | 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) | 3.69 | 14.71 | -52.44 | 2 | 6 | 1 | 54 | 427.576 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.69 | 17.21 | -123.08 | 3 | 6 | 2 | 55 | 428.584 | 7 | ↓ |