In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 18 | 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) | 1.96 | 6.96 | -48.98 | 3 | 3 | 1 | 45 | 242.346 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.96 | 7.38 | -97.4 | 4 | 3 | 2 | 47 | 243.354 | 2 | ↓ |