UCSF

ZINC65507000

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 20 No

Popular Name: (3aS,5R)-N-methyl-N-[2-(4-methylthiazol-5-yl)ethyl]-4,5-dihydro-3aH-thieno[3,2-b]pyrrole-5-carboxami (3aS,5R)-N-methyl-N-[2-(4-methyl…

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) 1.29 3.91 -12.53 1 4 0 45 307.444 4 ↓
Lo Low (pH 4.5-6) 1.29 5.3 -44.68 2 4 1 50 308.452 4 ↓

Activity (Go SEA)

Rings

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

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