In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 16 | 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) | -0.06 | 3.31 | -49.3 | 4 | 4 | 1 | 69 | 217.296 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.06 | 3.76 | -98.47 | 5 | 4 | 2 | 70 | 218.304 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.