In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2008 | 20 | 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) | 3.75 | 10.21 | -34.39 | 1 | 3 | 1 | 22 | 272.416 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.75 | 7.98 | -8.15 | 0 | 3 | 0 | 21 | 271.408 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.75 | 10.65 | -99.71 | 2 | 3 | 2 | 24 | 273.424 | 3 | ↓ |