| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 17 | Yes |
Popular Name: (4S)-N-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(2-imidazol-1-ylethyl)-4,…
| 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) | 0.87 | 8.53 | -51.99 | 2 | 3 | 1 | 34 | 248.375 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.87 | 7.35 | -7.25 | 1 | 3 | 0 | 30 | 247.367 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.87 | 9.04 | -108.68 | 3 | 3 | 2 | 36 | 249.383 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
