| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2010 | 19 | No |
Popular Name: (5S)-4-amino-3-[(1R)-1-(4-isobutylphenyl)ethyl]-1,5-dihydro-1,2,4-triazole-5-thiol (5S)-4-amino-3-[(1R)-1-(4-isobut…
| 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) | 3.46 | 6.7 | -5.42 | 3 | 4 | 0 | 54 | 278.425 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 7.24 | -45.38 | 3 | 4 | -1 | 54 | 277.417 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
