| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 18 | No |
Popular Name: 4-[(2R)-2-amino-2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]benzene-1,2-diol 4-[(2R)-2-amino-2-(4,5-dimethyl-…
| 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) | -2.02 | 0.8 | -53.36 | 5 | 6 | 1 | 99 | 249.294 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.02 | 0.48 | -15.21 | 4 | 6 | 0 | 97 | 248.286 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
