In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 16th, 2009 | 25 | 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) | 2.55 | 10.19 | -109.86 | 2 | 5 | 2 | 40 | 380.583 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.55 | 7.92 | -45.02 | 1 | 5 | 1 | 39 | 379.575 | 7 | ↓ |