In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2009 | 27 | 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) | 3.13 | 10.73 | -13.89 | 0 | 5 | 0 | 59 | 400.573 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.13 | 11.19 | -42.56 | 1 | 5 | 1 | 60 | 401.581 | 7 | ↓ |