In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 13 | 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) | -1.38 | 5.58 | -90.05 | 2 | 4 | 1 | 49 | 187.263 | 2 | ↓ |
Mid Mid (pH 6-8) | -1.38 | 3.57 | -32.3 | 1 | 4 | 0 | 48 | 186.255 | 2 | ↓ |
Lo Low (pH 4.5-6) | -1.38 | 4.6 | -56.48 | 1 | 4 | 0 | 48 | 186.255 | 2 | ↓ |