In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 26th, 2010 | 14 | Yes |
None
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) | 0.23 | 1.59 | -36.51 | 4 | 3 | 1 | 51 | 193.27 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.23 | -0.46 | -46.39 | 4 | 3 | 1 | 51 | 193.27 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.23 | 1.87 | -118.6 | 5 | 3 | 2 | 52 | 194.278 | 2 | ↓ |