In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2010 | 14 | 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) | -0.52 | 3.37 | -50.51 | 3 | 4 | 1 | 49 | 197.306 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.52 | 3.88 | -86.26 | 4 | 4 | 2 | 50 | 198.314 | 7 | ↓ |
Lo Low (pH 4.5-6) | -0.52 | 6.04 | -183.88 | 5 | 4 | 3 | 51 | 199.322 | 7 | ↓ |