UCSF

ZINC09177564

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 34 No

Popular Name: 1-(3-dimethylaminopropyl)-4-[hydroxy-(4-propoxyphenyl)-methylene]-5-(4-nitrophenyl)-pyrrolidine-2,3- 1-(3-dimethylaminopropyl)-4-[hyd…

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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) 3.57 12.43 -79.38 1 9 0 120 467.522 11 ↓
Mid Mid (pH 6-8) 4.02 12.62 -53.92 2 9 1 117 468.53 10 ↓
Mid Mid (pH 6-8) 2.99 1.86 -54.11 1 9 1 113 468.53 11 ↓

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