In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 54 | 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) | 2.63 | 15.93 | -137.97 | 4 | 14 | 2 | 157 | 748.874 | 14 | ↓ |
Hi High (pH 8-9.5) | 2.63 | 11.49 | -36.27 | 2 | 14 | 0 | 154 | 746.858 | 14 | ↓ |
Mid Mid (pH 6-8) | 2.63 | 13.72 | -77.53 | 3 | 14 | 1 | 155 | 747.866 | 14 | ↓ |