| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 18 | No |
Popular Name: 3-methylsulfanyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine 3-methylsulfanyl-N-[(2-phenyltri…
| 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) | 1.72 | 7.03 | -47.46 | 2 | 4 | 1 | 47 | 263.39 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 5.69 | -8.61 | 1 | 4 | 0 | 43 | 262.382 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
