In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2010 | 16 | 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) | 3.29 | 9.2 | -48.12 | 0 | 2 | -1 | 40 | 217.288 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.29 | 7.42 | -5.68 | 1 | 2 | 0 | 37 | 218.296 | 3 | ↓ |