In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 10th, 2011 | 9 | Yes |
None
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) | -0.31 | 2.09 | -42 | 0 | 3 | -1 | 52 | 124.119 | 1 | ↓ |
Lo Low (pH 4.5-6) | -0.31 | 3.1 | -39.14 | 1 | 3 | 0 | 54 | 125.127 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.