In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 17th, 2006 | 21 | 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) | 3.17 | -2.55 | -14.83 | 2 | 3 | 0 | 44 | 278.355 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.07 | 0.65 | -15.64 | 1 | 7 | 0 | 89 | 328.39 | 4 | ↓ |