UCSF

ZINC13570019

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 32 No

Popular Name: (4E,5R)-5-(4-chlorophenyl)-4-[hydroxy-(4-methoxy-2-methyl-phenyl)methylene]-1-(3-pyridylmethyl)pyrro (4E,5R)-5-(4-chlorophenyl)-4-[hy…

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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) 3.65 10.15 -59.68 0 6 -1 83 447.898 6 ↓
Mid Mid (pH 6-8) 3.65 9.41 -11.09 1 6 0 80 448.906 6 ↓
Mid Mid (pH 6-8) 3.07 9.87 -12.85 0 6 0 77 448.906 6 ↓
Lo Low (pH 4.5-6) 3.65 9.72 -39.79 2 6 1 81 449.914 6 ↓
Lo Low (pH 4.5-6) 3.07 10.18 -43.46 1 6 1 78 449.914 6 ↓

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