UCSF

ZINC17044982

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 36 No

Popular Name: (4E,5S)-5-(4-ethoxy-3-methoxy-phenyl)-4-[(4-ethoxyphenyl)-hydroxy-methylene]-1-(3-pyridylmethyl)pyrr (4E,5S)-5-(4-ethoxy-3-methoxy-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) 3.00 9.32 -62.28 0 8 -1 101 487.532 10 ↓
Mid Mid (pH 6-8) 2.41 10.43 -16.79 0 8 0 95 488.54 10 ↓
Mid Mid (pH 6-8) 3.00 10.04 -16.5 1 8 0 98 488.54 10 ↓
Lo Low (pH 4.5-6) 2.41 10.71 -47.77 1 8 1 96 489.548 10 ↓
Lo Low (pH 4.5-6) 3.00 10.32 -44.9 2 8 1 99 489.548 10 ↓

Activity (Go SEA)

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