UCSF

ZINC09274456

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 31 No

Popular Name: 5-(3-bromophenyl)-1-(3-dimethylaminopropyl)-4-[hydroxy-(4-methoxy-2-methyl-phenyl)-methylene]-pyrrol 5-(3-bromophenyl)-1-(3-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) 3.90 11.84 -77.22 1 6 0 74 487.394 8 ↓
Mid Mid (pH 6-8) 4.34 10.51 -43.28 2 6 1 71 488.402 7 ↓
Mid Mid (pH 6-8) 3.31 0.85 -47.72 1 6 1 68 488.402 8 ↓

Activity (Go SEA)

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