In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2011 | 22 | 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) | 0.19 | 3.09 | -43.77 | 2 | 7 | 1 | 83 | 300.342 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.19 | 2.68 | -14.4 | 1 | 7 | 0 | 82 | 299.334 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.