In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2008 | 17 | 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) | 0.90 | 6.03 | -36.71 | 2 | 4 | 1 | 37 | 244.403 | 10 | ↓ |
Mid Mid (pH 6-8) | 0.90 | 7.42 | -103.65 | 3 | 4 | 2 | 41 | 245.411 | 10 | ↓ |
Mid Mid (pH 6-8) | 0.90 | 5.19 | -41.51 | 2 | 4 | 1 | 40 | 244.403 | 10 | ↓ |