| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 15 | No |
Popular Name: 4-[(1S)-1-methyl-2-morpholino-ethyl]-1,2,4-triazole-3-thiol 4-[(1S)-1-methyl-2-morpholino-et…
| 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) | -0.31 | 4.16 | -13.94 | 1 | 5 | 0 | 46 | 228.321 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.41 | 4.36 | -45.2 | 0 | 5 | -1 | 43 | 227.313 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.31 | 6.44 | -47.3 | 2 | 5 | 1 | 47 | 229.329 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.41 | 6.35 | -58.23 | 1 | 5 | 0 | 44 | 228.321 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
