In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2008 | 18 | 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) | 2.09 | 6.07 | -8.27 | 1 | 3 | 0 | 42 | 240.306 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.09 | 6.35 | -40.12 | 2 | 3 | 1 | 43 | 241.314 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.