In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 20th, 2010 | 15 | 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) | -0.24 | 4.33 | -79.21 | 2 | 5 | 0 | 77 | 214.265 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.24 | 3 | -48.19 | 1 | 5 | -1 | 72 | 213.257 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.24 | 2.36 | -50.99 | 3 | 5 | 1 | 74 | 215.273 | 5 | ↓ |