UCSF

ZINC58000464

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 18 Yes

Popular Name: N-[2-(4-methylthiazol-2-yl)ethyl]thieno[3,2-c]pyridin-4-amine N-[2-(4-methylthiazol-2-yl)ethyl…

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) 2.48 6.83 -32.51 2 3 1 39 276.41 4 ↓
Hi High (pH 8-9.5) 2.48 6.47 -9.36 1 3 0 38 275.402 4 ↓

Activity (Go SEA)

Rings

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

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