UCSF

ZINC38577880

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 20 No

Popular Name: (8aR)-2-thioxospiro[5,6,8,8a-tetrahydrobenzothiopheno[2,3-d]pyrimidine-7,1'-cyclohexane]-4-one (8aR)-2-thioxospiro[5,6,8,8a-tet…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.90 7.52 -14.39 1 3 0 46 306.456 0 ↓
Mid Mid (pH 6-8) 3.35 5.67 -54.63 0 3 -1 49 305.448 0 ↓

Activity (Go SEA)

Rings

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

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