In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 19th, 2008 | 30 | 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) | 2.01 | 1.91 | -64.33 | 1 | 11 | -1 | 156 | 427.374 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.46 | -0.55 | -126.19 | 0 | 11 | -2 | 160 | 426.366 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.