UCSF

ZINC09244250

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 33 No

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

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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) 4.02 12.51 -77.97 1 6 0 74 454.542 10 ↓
Mid Mid (pH 6-8) 4.47 12.71 -47.93 2 6 1 71 455.55 9 ↓
Mid Mid (pH 6-8) 3.44 2.42 -47.55 1 6 1 68 455.55 10 ↓

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