In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 12 | 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) | 0.78 | 4.04 | -38.81 | 2 | 3 | 1 | 40 | 170.28 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.78 | 5.3 | -103.38 | 3 | 3 | 2 | 45 | 171.288 | 6 | ↓ |