UCSF

ZINC53645532

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 19 Yes

Popular Name: 1-[2-(2-pyridyl)ethylsulfonyl]-1,4-diazepan-5-one 1-[2-(2-pyridyl)ethylsulfonyl]-1…

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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) -0.41 0.96 -14.69 1 6 0 79 283.353 4 ↓
Lo Low (pH 4.5-6) -0.41 1.31 -47.1 2 6 1 81 284.361 4 ↓

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

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