UCSF

ZINC13553107

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 33 No

Popular Name: (4E,5R)-5-(4-tert-butylphenyl)-1-(3-dimethylaminopropyl)-4-[hydroxy-(4-methoxyphenyl)methylene]pyrro (4E,5R)-5-(4-tert-butylphenyl)-1…

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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) 4.44 11.89 -74.49 1 6 0 74 450.579 9 ↓
Mid Mid (pH 6-8) 4.89 11.58 -50.84 2 6 1 71 451.587 8 ↓
Mid Mid (pH 6-8) 3.86 12.59 -46.44 1 6 1 68 451.587 9 ↓

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