In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 45 | 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) | 2.98 | 12.57 | -51.81 | 4 | 11 | 1 | 140 | 642.843 | 11 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 11.44 | -15.74 | 3 | 11 | 0 | 139 | 641.835 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.