UCSF

ZINC26145661

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 29 No

Popular Name: [2-amino-6-[2-(4-nitrophenyl)ethyl]-5,7-dihydro-4H-thieno[5,4-c]pyridin-3-yl]-phenyl-methanone [2-amino-6-[2-(4-nitrophenyl)eth…

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) 4.36 10.18 -14.89 2 6 0 92 407.495 6 ↓
Lo Low (pH 4.5-6) 4.36 12.51 -63.29 3 6 1 93 408.503 6 ↓

Activity (Go SEA)

Rings

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

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