In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 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) | 2.07 | 4.75 | -47.18 | 2 | 3 | 1 | 37 | 274.171 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.07 | 3.33 | -8.36 | 1 | 3 | 0 | 32 | 273.163 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.07 | 5.57 | -44.05 | 2 | 3 | 1 | 34 | 274.171 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.07 | 6.97 | -128.48 | 3 | 3 | 2 | 38 | 275.179 | 3 | ↓ |