UCSF

ZINC49348945

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 18 No

Popular Name: N-[2-(5-chloro-2-thienyl)ethyl]-2-thioxo-1H-pyridine-3-carboxamide N-[2-(5-chloro-2-thienyl)ethyl]-…

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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) 3.08 5.86 -60.74 1 3 -1 42 297.812 4 ↓
Mid Mid (pH 6-8) 2.35 6.2 -37.48 2 3 0 45 298.82 4 ↓

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

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