In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | 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) | 1.95 | 5.7 | -49.05 | 0 | 5 | -1 | 66 | 278.328 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.95 | 7.93 | -58.92 | 1 | 5 | 0 | 67 | 279.336 | 3 | ↓ |