In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 27th, 2010 | 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) | 1.67 | 5.2 | -120.5 | 5 | 3 | 2 | 53 | 238.375 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 4.83 | -40.84 | 4 | 3 | 1 | 52 | 237.367 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 3.87 | -43.39 | 4 | 3 | 1 | 49 | 237.367 | 9 | ↓ |