UCSF

ZINC09177660

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 37 No

Popular Name: 4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-5-(3-nitrophenyl)-1-(3-pyridylmethyl)pyrrolidine-2, 4-[(4-butoxy-3-methyl-phenyl)-hy…

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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) 4.35 12.14 -52.45 0 9 -1 128 500.531 10 ↓
Mid Mid (pH 6-8) 3.76 0.69 -14.59 0 9 0 122 501.539 10 ↓
Mid Mid (pH 6-8) 4.35 12.23 -14.94 1 9 0 126 501.539 10 ↓
Lo Low (pH 4.5-6) 4.35 12.54 -50.98 2 9 1 127 502.547 10 ↓
Lo Low (pH 4.5-6) 3.76 0.82 -53.26 1 9 1 123 502.547 10 ↓

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