UCSF

ZINC64542039

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 20 No

Popular Name: (3aS)-N,N,2-trimethyl-3-(pyrrolidin-1-ylmethyl)-3aH-thieno[3,2-b]pyrrole-5-carboxamide (3aS)-N,N,2-trimethyl-3-(pyrroli…

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) 0.64 4.32 -5.33 0 4 0 36 291.42 3 ↓
Mid Mid (pH 6-8) 0.64 6.79 -41.9 1 4 1 37 292.428 3 ↓

Activity (Go SEA)

Rings

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

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