| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 17 | Yes |
Popular Name: 2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic 2-[1-[(5-amino-1H-1,2,4-triazol-…
| 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) | 0.98 | 6.6 | -49.25 | 3 | 6 | -1 | 108 | 237.283 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.98 | 6.7 | -52.92 | 4 | 6 | 0 | 109 | 238.291 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.98 | 4.16 | -8.43 | 4 | 6 | 0 | 105 | 238.291 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
