UCSF

ZINC59416533

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 27 Yes

Popular Name: 2-[(1S,3S)-3-pentylcyclohexyl]-1-(2-pentylthieno[3,2-b]thiophen-5-yl)ethanone 2-[(1S,3S)-3-pentylcyclohexyl]-1…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 9.03 16.92 -5.32 0 1 0 17 404.685 11 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0144013A2; US4639328 IBM Patent Data

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.