UCSF

ZINC09179069

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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-isopropylphenyl)-pyrrolidine- 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) 5.13 13.71 -77.28 1 6 0 74 464.606 11 ↓
Mid Mid (pH 6-8) 5.57 13.86 -47.81 2 6 1 71 465.614 10 ↓
Mid Mid (pH 6-8) 4.54 2.1 -44.87 1 6 1 68 465.614 11 ↓

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