UCSF

ZINC64532175

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 33 No

Popular Name: (E)-2-[(4-bromophenyl)methylsulfanyl]-1-(3-chloro-4-nitro-phenyl)-3-(3-hydroxy-4-nitro-phenyl)prop-2 (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) 6.70 14.36 -18.83 1 8 0 129 549.786 8 ↓
Mid Mid (pH 6-8) 6.70 15.35 -52 0 8 -1 132 548.778 8 ↓

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

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