In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 18 | 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) | -0.46 | 1.01 | -48.55 | 4 | 6 | 1 | 82 | 251.31 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.46 | 0.69 | -10.52 | 3 | 6 | 0 | 80 | 250.302 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.46 | 1.37 | -92.77 | 5 | 6 | 2 | 83 | 252.318 | 3 | ↓ |