UCSF

ZINC09413501

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 34 No

Popular Name: 1-(3-dimethylaminopropyl)-4-[hydroxy-(4-isobutoxyphenyl)-methylene]-5-(2-methoxyphenyl)-pyrrolidine- 1-(3-dimethylaminopropyl)-4-[hyd…

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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) 3.87 11.83 -76.25 1 7 0 83 466.578 11 ↓
Mid Mid (pH 6-8) 3.28 2.79 -44.68 1 7 1 77 467.586 11 ↓
Mid Mid (pH 6-8) 4.31 12.23 -48.33 2 7 1 81 467.586 10 ↓

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