In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2010 | 15 | 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) | 1.39 | 6.21 | -81.39 | 2 | 3 | 2 | 12 | 215.385 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.39 | 1.83 | -1.33 | 0 | 3 | 0 | 10 | 213.369 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.39 | 3.92 | -31.78 | 1 | 3 | 1 | 11 | 214.377 | 6 | ↓ |