In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 37 | No |
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) | 3.54 | 14.77 | -66.38 | 1 | 8 | 1 | 91 | 523.61 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.54 | 13 | -23.1 | 0 | 8 | 0 | 90 | 522.602 | 6 | ↓ |