| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 17 | No |
Popular Name: (1S)-1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-methylsulfanyl-propan-1-amine (1S)-1-(4-cyclopentyl-5-methyl-1…
| 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) | -0.66 | 6.11 | -50.13 | 3 | 4 | 1 | 58 | 255.411 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.66 | 5.77 | -10.82 | 2 | 4 | 0 | 57 | 254.403 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
