In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 14th, 2010 | 21 | 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) | 0.27 | 8.84 | -87.75 | 4 | 7 | 2 | 67 | 293.419 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.27 | 4.12 | -7.02 | 2 | 7 | 0 | 65 | 291.403 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.27 | 6.49 | -42.26 | 3 | 7 | 1 | 66 | 292.411 | 2 | ↓ |