| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 21 | No |
Popular Name: 3-Mercapto-1-phenethyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile 3-Mercapto-1-phenethyl-5,6,7,8-t…
Find On: PubMed — Wikipedia — Google
CAS Number: 385787-60-0
| 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) | 4.69 | 0.08 | -50.97 | 0 | 2 | -1 | 36 | 293.415 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.69 | 0.16 | -26.43 | 1 | 2 | 0 | 37 | 294.423 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 224 - 226 | Enamine Building Blocks |
| MP | 224...226 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
