UCSF

ZINC19313068

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 33 No

Popular Name: ethyl 2-{[(benzoylamino)carbothioyl]amino}-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate ethyl 2-{[(benzoylamino)carbothi…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD00682323

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) 4.35 12.61 -20.53 2 6 0 71 479.627 9 ↓
Hi High (pH 8-9.5) 4.39 12.61 -20.53 2 6 0 73 479.627 8 ↓

Activity (Go SEA)

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