| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 17 | No |
Popular Name: 5-ethyl-4-[(1S)-1-methyl-2-morpholino-ethyl]-1,2,4-triazole-3-thiol 5-ethyl-4-[(1S)-1-methyl-2-morph…
| 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) | 0.35 | 4.67 | -11.72 | 1 | 5 | 0 | 46 | 256.375 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.07 | 4.59 | -44.77 | 0 | 5 | -1 | 43 | 255.367 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.07 | 6.59 | -50.68 | 1 | 5 | 0 | 44 | 256.375 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.35 | 6.88 | -43.12 | 2 | 5 | 1 | 47 | 257.383 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
