UCSF

ZINC09243498

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 35 No

Popular Name: 1-(3-dimethylaminopropyl)-4-[hydroxy-(4-isobutoxyphenyl)-methylene]-5-(4-nitrophenyl)-pyrrolidine-2, 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) 3.82 13.11 -78.1 1 9 0 120 481.549 11 ↓
Mid Mid (pH 6-8) 4.26 2.82 -53.85 2 9 1 117 482.557 10 ↓
Mid Mid (pH 6-8) 3.23 2.19 -54.03 1 9 1 113 482.557 11 ↓

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