In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 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) | 3.86 | 8.96 | -31.64 | 2 | 2 | 1 | 29 | 287.452 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.86 | 7.74 | -4.15 | 1 | 2 | 0 | 25 | 286.444 | 4 | ↓ |