UCSF

ZINC33698306

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 34 No

Popular Name: (4E,5S)-5-(3,4-dimethoxyphenyl)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-1-(4-pyridylmethyl)pyrrol (4E,5S)-5-(3,4-dimethoxyphenyl)-…

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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) 2.96 10.75 -43.12 0 7 -1 92 457.506 7 ↓
Lo Low (pH 4.5-6) 2.96 9.62 -20.83 1 7 0 89 458.514 7 ↓
Lo Low (pH 4.5-6) 2.96 10.05 -53.71 2 7 1 90 459.522 7 ↓

Activity (Go SEA)

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