UCSF

ZINC17138293

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 32 No

Popular Name: (4E,5S)-4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(2-dimethylaminoethyl)-5-(4-pyridyl)pyrro (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) 2.99 11 -51.17 1 7 0 87 437.54 10 ↓
Hi High (pH 8-9.5) 2.99 8.48 -38.32 0 7 -1 86 436.532 10 ↓
Mid Mid (pH 6-8) 3.44 10.89 -50.19 2 7 1 84 438.548 9 ↓

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