In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 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) | 2.12 | 6.31 | -42.72 | 2 | 2 | 1 | 29 | 219.333 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.12 | 5.07 | -5.29 | 1 | 2 | 0 | 25 | 218.325 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.