In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 38 | 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) | 5.00 | 10.35 | -16.02 | 2 | 8 | 0 | 101 | 512.61 | 11 | ↓ |
Mid Mid (pH 6-8) | 5.00 | 11.11 | -55.58 | 1 | 8 | -1 | 103 | 511.602 | 11 | ↓ |