In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 32 | 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) | 2.91 | 10.9 | -26.54 | 1 | 10 | 0 | 139 | 471.52 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.91 | 10.76 | -110.57 | 3 | 10 | 2 | 142 | 473.536 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.