UCSF

ZINC17137929

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 33 No

Popular Name: (4E,5R)-4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(3-dimethylaminopropyl)-5-(3-pyridyl)pyrr (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) 3.31 11.29 -52.63 1 7 0 87 451.567 11 ↓
Mid Mid (pH 6-8) 3.76 10.48 -44.52 2 7 1 84 452.575 10 ↓
Mid Mid (pH 6-8) 2.73 11.15 -43.76 1 7 1 81 452.575 11 ↓

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