| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 18 | No |
Popular Name: 5-isopropyl-4-[(1S)-1-methyl-2-morpholino-ethyl]-1,2,4-triazole-3-thiol 5-isopropyl-4-[(1S)-1-methyl-2-m…
| 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) | 0.83 | 4.97 | -10.7 | 1 | 5 | 0 | 46 | 270.402 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 5.02 | -44.88 | 0 | 5 | -1 | 43 | 269.394 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | 7.03 | -50.42 | 1 | 5 | 0 | 44 | 270.402 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | 7.24 | -41.61 | 2 | 5 | 1 | 47 | 271.41 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
