| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 12 | No |
Popular Name: 4-amino-5-[(2S)-tetrahydrothiophen-2-yl]-1,2,4-triazole-3-thiol 4-amino-5-[(2S)-tetrahydrothioph…
| 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) | 0.55 | 4.43 | -43.05 | 2 | 4 | -1 | 57 | 201.3 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.18 | 4.44 | -10.36 | 3 | 4 | 0 | 60 | 202.308 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
