UCSF

ZINC69772934

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 Yes

Popular Name: 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)-1-piperidyl]ethano 2-[(4R)-6,7-dihydro-4H-thieno[3,…

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) 1.53 9.99 -35.09 1 5 1 49 346.476 3 ↓
Mid Mid (pH 6-8) 1.53 9.51 -15.17 0 5 0 47 345.468 3 ↓

Activity (Go SEA)

Rings

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

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