In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2011 | 15 | 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) | -0.55 | 6.51 | -44.36 | 2 | 7 | 1 | 75 | 208.249 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.55 | 5.99 | -15.31 | 1 | 7 | 0 | 73 | 207.241 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.