In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2011 | 19 | 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) | 1.13 | 6.62 | -37.35 | 1 | 5 | 1 | 55 | 259.285 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.13 | 6.15 | -11.37 | 0 | 5 | 0 | 53 | 258.277 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.