| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 16 | No |
Popular Name: 5-[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]-4-propyl-1,2,4-triazole-3-thiol 5-[methyl-[(3S)-tetrahydrothioph…
None
| 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) | 1.39 | 9.54 | -51.95 | 2 | 4 | 1 | 38 | 259.424 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 9.73 | -45.58 | 0 | 4 | -1 | 34 | 257.408 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 9.16 | -46.25 | 1 | 4 | 0 | 35 | 258.416 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.39 | 9.78 | -11.06 | 1 | 4 | 0 | 37 | 258.416 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
