In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 15th, 2009 | 26 | 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) | 0.33 | 8.52 | -110.79 | 1 | 6 | 0 | 70 | 359.401 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.33 | 6.16 | -65.63 | 0 | 6 | -1 | 69 | 358.393 | 4 | ↓ |
Mid Mid (pH 6-8) | -2.42 | 7.57 | -82.73 | 2 | 6 | 1 | 73 | 360.409 | 3 | ↓ |