| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 18 | No |
Popular Name: 4-[(2S)-3-methoxy-2-methyl-propyl]-5-phenyl-1,2,4-triazole-3-thiol 4-[(2S)-3-methoxy-2-methyl-propy…
| 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) | 2.29 | 7.52 | -10.65 | 1 | 4 | 0 | 43 | 263.366 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 7.54 | -47.81 | 0 | 4 | -1 | 40 | 262.358 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
