In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2011 | 42 | 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) | 0.98 | 16.64 | -65.98 | 4 | 11 | 0 | 163 | 561.602 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.98 | 16.51 | -64.16 | 3 | 11 | -1 | 161 | 560.594 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.