UCSF

ZINC09045531

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Substance Information

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

Popular Name: 4-[(3-chloro-4-ethoxy-phenyl)-hydroxy-methylene]-1-(3-dimethylaminopropyl)-5-(4-nitrophenyl)-pyrroli 4-[(3-chloro-4-ethoxy-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) 3.68 12.06 -74.21 1 9 0 120 487.94 10 ↓
Mid Mid (pH 6-8) 4.12 11.71 -52.56 2 9 1 117 488.948 9 ↓

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