UCSF

ZINC64532122

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 31 No

Popular Name: (E)-2-[(4-bromophenyl)methylsulfanyl]-1-(5-chloro-2-hydroxy-phenyl)-3-(3-hydroxy-4-nitro-phenyl)prop (E)-2-[(4-bromophenyl)methylsulf…

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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) 6.73 12.06 -15.45 2 6 0 103 520.788 7 ↓
Hi High (pH 8-9.5) 6.73 14.03 -107.04 0 6 -2 109 518.772 7 ↓
Mid Mid (pH 6-8) 6.73 13.05 -52.19 1 6 -1 106 519.78 7 ↓

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

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