UCSF

ZINC09072292

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 33 No

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

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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) 3.30 11.74 -77.04 1 9 0 120 453.495 10 ↓
Hi High (pH 8-9.5) 3.30 9.21 -53.77 0 9 -1 119 452.487 10 ↓
Mid Mid (pH 6-8) 3.75 11.25 -51.82 2 9 1 117 454.503 9 ↓

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