In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2008 | 14 | No |
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) | 1.37 | 5.16 | -29.17 | 5 | 4 | 1 | 76 | 189.242 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.37 | 5.17 | -11.82 | 4 | 4 | 0 | 74 | 188.234 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.24 | 5.09 | -8.99 | 4 | 4 | 0 | 77 | 188.234 | 3 | ↓ |