In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2010 | 20 | 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) | 2.77 | 5.01 | -8.9 | 1 | 4 | 0 | 37 | 291.42 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.77 | 7.28 | -44.91 | 2 | 4 | 1 | 39 | 292.428 | 6 | ↓ |