UCSF

ZINC34920075

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 38 No

Popular Name: (4Z,5R)-4-[(4-ethoxyphenyl)-hydroxy-methylene]-5-(3-ethoxy-4-propoxy-phenyl)-1-(4-pyridylmethyl)pyrr (4Z,5R)-4-[(4-ethoxyphenyl)-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) 3.82 10.96 -58.79 0 8 -1 101 515.586 12 ↓
Lo Low (pH 4.5-6) 3.82 10.22 -16.6 1 8 0 98 516.594 12 ↓
Lo Low (pH 4.5-6) 3.82 10.68 -45.76 2 8 1 99 517.602 12 ↓

Activity (Go SEA)

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