UCSF

ZINC08836930

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 30 No

Popular Name: 5-(4-bromophenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-pyrroli 5-(4-bromophenyl)-1-(2-dimethyla…

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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) 3.65 10.62 -72.74 1 6 0 74 473.367 7 ↓
Hi High (pH 8-9.5) 3.65 8.07 -55.82 0 6 -1 73 472.359 7 ↓
Mid Mid (pH 6-8) 3.07 0.35 -48.08 1 6 1 68 474.375 7 ↓

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