UCSF

ZINC63732656

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 2011 27 No

Popular Name: N-[(2R,3aS,7aS)-5-benzyl-2,3a,4,6,7,7a-hexahydro-1H-thiazolo[5,4-c]pyridin-2-yl]-4-acetyl-3H-pyrrole N-[(2R,3aS,7aS)-5-benzyl-2,3a,4,…

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) 0.82 6.01 -47.77 3 6 1 75 385.513 5 ↓
Hi High (pH 8-9.5) 0.82 3.89 -10.23 2 6 0 74 384.505 5 ↓

Activity (Go SEA)

Rings

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

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