In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 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) | 3.01 | 7.18 | -47.47 | 3 | 2 | 1 | 31 | 269.412 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.01 | 8.91 | -131.92 | 4 | 2 | 2 | 32 | 270.42 | 7 | ↓ |