UCSF

ZINC35296268

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 35 No

Popular Name: (4E,5S)-4-[(3-butoxyphenyl)-hydroxy-methylene]-5-(4-tert-butylphenyl)-1-(2-dimethylaminoethyl)pyrrol (4E,5S)-4-[(3-butoxyphenyl)-hydr…

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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) 5.58 13.9 -76.44 1 6 0 74 478.633 11 ↓
Lo Low (pH 4.5-6) 5.58 13.15 -53.81 2 6 1 71 479.641 11 ↓

Activity (Go SEA)

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