| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 17 | Yes |
Popular Name: (3S)-3-(1-methylimidazol-2-yl)sulfanyl-3-phenyl-propan-1-amine (3S)-3-(1-methylimidazol-2-yl)su…
| 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) | 1.57 | 6.61 | -50.05 | 3 | 3 | 1 | 45 | 248.375 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.57 | 7.11 | -92.5 | 4 | 3 | 2 | 47 | 249.383 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
