| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 17 | Yes |
Popular Name: 1-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]cycloheptanecarboxylic 1-[(5-amino-1H-1,2,4-triazol-3-y…
| 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) | 1.22 | 6.55 | -50.59 | 3 | 6 | -1 | 108 | 237.283 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.22 | 6.64 | -41.78 | 4 | 6 | 0 | 109 | 238.291 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
