UCSF

ZINC09042518

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 34 No

Popular Name: 4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(3-dimethylaminopropyl)-5-(4-fluorophenyl)-pyrrol 4-[(4-butoxy-3-methyl-phenyl)-hy…

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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) 4.71 12.82 -71.2 1 6 0 74 468.569 11 ↓
Mid Mid (pH 6-8) 4.13 13.5 -47.49 1 6 1 68 469.577 11 ↓
Mid Mid (pH 6-8) 5.16 13.52 -50.4 2 6 1 71 469.577 10 ↓

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