UCSF

ZINC13570372

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 37 No

Popular Name: (4E,5R)-4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-5-(4-nitrophenyl)-1-(3-pyridylmethyl)pyrrol (4E,5R)-4-[(4-butoxy-3-methyl-ph…

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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) 4.37 12.17 -58.79 0 9 -1 128 500.531 10 ↓
Mid Mid (pH 6-8) 4.82 11.81 -16.59 1 9 0 126 501.539 9 ↓
Lo Low (pH 4.5-6) 4.82 12.09 -44.08 2 9 1 127 502.547 9 ↓

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