In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2010 | 16 | 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) | 2.41 | 8.66 | -9.27 | 0 | 4 | 0 | 44 | 230.658 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.41 | 9.14 | -37.46 | 1 | 4 | 1 | 45 | 231.666 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.