In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 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) | 0.26 | 4.46 | -178.77 | 6 | 4 | 3 | 57 | 260.446 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.26 | 2.62 | -85.52 | 5 | 4 | 2 | 56 | 259.438 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.26 | 0.6 | -43.17 | 4 | 4 | 1 | 54 | 258.43 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.26 | 2.44 | -92.75 | 5 | 4 | 2 | 56 | 259.438 | 9 | ↓ |