In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 39 | 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) | 3.91 | 14.56 | -22.29 | 0 | 7 | 0 | 84 | 517.516 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.91 | 15.61 | -34.33 | 1 | 7 | 1 | 85 | 518.524 | 3 | ↓ |