In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 16 | 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) | 3.67 | 7.39 | -31.27 | 2 | 2 | 1 | 16 | 227.416 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.67 | 6.71 | -34.62 | 2 | 2 | 1 | 20 | 227.416 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.67 | 8.57 | -99.25 | 3 | 2 | 2 | 21 | 228.424 | 7 | ↓ |