UCSF

ZINC13552317

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 34 No

Popular Name: (4E,5S)-4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(2-methoxyethyl)-5-(3-nitrophenyl)pyrroli (4E,5S)-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) 4.17 10.77 -57.02 0 9 -1 125 467.498 11 ↓
Mid Mid (pH 6-8) 4.61 11.09 -15.82 1 9 0 122 468.506 10 ↓
Mid Mid (pH 6-8) 3.59 11.15 -17.36 0 9 0 119 468.506 11 ↓

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