In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 1st, 2011 | 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) | 0.44 | 4.1 | -13.25 | 0 | 5 | 0 | 57 | 253.346 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.44 | 6.38 | -48.23 | 1 | 5 | 1 | 58 | 254.354 | 7 | ↓ |