UCSF

ZINC09270985

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 34 No

Popular Name: 5-(3-bromophenyl)-1-(3-dimethylaminopropyl)-4-[hydroxy-(4-isobutoxy-3-methyl-phenyl)-methylene]-pyrr 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) 5.02 13.72 -80.5 1 6 0 74 529.475 10 ↓
Mid Mid (pH 6-8) 5.47 1.58 -44.88 2 6 1 71 530.483 9 ↓
Mid Mid (pH 6-8) 4.43 1.07 -47.14 1 6 1 68 530.483 10 ↓

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