| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 21 | No |
Popular Name: 4-[(2S)-2-amino-2-(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,2-diol 4-[(2S)-2-amino-2-(5-isobutyl-2-…
| 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) | -0.70 | 1.9 | -52.93 | 5 | 6 | 1 | 99 | 291.375 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.70 | 1.66 | -11.25 | 4 | 6 | 0 | 97 | 290.367 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
