| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 26th, 2010 | 18 | No |
Popular Name: 1-[(3S)-5-isobutyl-3H-1,2,4-triazol-3-yl]-3-[(3S)-tetrahydrothiophen-3-yl]urea 1-[(3S)-5-isobutyl-3H-1,2,4-tria…
| 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) | 1.27 | 6.17 | -10.1 | 3 | 6 | 0 | 83 | 269.374 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 6 | -49.25 | 2 | 6 | -1 | 81 | 268.366 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
