UCSF

ZINC65530084

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 23 Yes

Popular Name: 2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-4(1H)-quinazolinone 2-{[2-(4-chlorophenoxy)ethyl]sul…

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Other Names:

MFCD00621745

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) 2.09 9.97 -100.42 2 5 2 48 333.867 3 ↓
Hi High (pH 8-9.5) 2.09 7.43 -11.33 0 5 0 45 331.851 3 ↓
Mid Mid (pH 6-8) 2.09 9.56 -49.84 1 5 1 46 332.859 3 ↓

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

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