| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 15 | No |
Popular Name: N-[(1S)-1-[(3S)-5-methyl-3H-1,2,4-triazol-3-yl]ethyl]tetrahydrothiopyran-4-amine N-[(1S)-1-[(3S)-5-methyl-3H-1,2,…
| 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) | 0.62 | 4.35 | -37.81 | 3 | 4 | 1 | 58 | 227.357 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.62 | 3.65 | -6.49 | 2 | 4 | 0 | 54 | 226.349 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.62 | 4.21 | -35.3 | 2 | 4 | 0 | 56 | 226.349 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
