In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 26 | 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) | 3.79 | 9.34 | -43.11 | 1 | 4 | 1 | 26 | 371.526 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.79 | 6.87 | -6.6 | 0 | 4 | 0 | 25 | 370.518 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.79 | 8.42 | -37.57 | 1 | 4 | 1 | 26 | 371.526 | 3 | ↓ |