In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 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) | -0.21 | 3.4 | -46.73 | 2 | 5 | 1 | 53 | 235.311 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.21 | 2.03 | -13.97 | 1 | 5 | 0 | 48 | 234.303 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.21 | 3.09 | -81.91 | 3 | 5 | 2 | 54 | 236.319 | 3 | ↓ |