In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 29th, 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) | 2.08 | 5.16 | -5.53 | 2 | 4 | 0 | 62 | 251.326 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.08 | 5.47 | -42.9 | 3 | 4 | 1 | 63 | 252.334 | 6 | ↓ |