In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 15th, 2009 | 25 | Yes |
None
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) | 2.42 | 8.48 | -48.77 | 2 | 5 | 1 | 60 | 352.849 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 7.08 | -10.71 | 1 | 5 | 0 | 55 | 351.841 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 9.27 | -92.24 | 3 | 5 | 2 | 61 | 353.857 | 3 | ↓ |