UCSF

ZINC33812774

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 No

Popular Name: (2R)-4-hydroxy-3-(4-methyl-2-phenyl-thiazole-5-carbonyl)-1-(2-morpholinoethyl)-2-(2-pyridyl)-2H-pyrr (2R)-4-hydroxy-3-(4-methyl-2-phe…

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Download: MOL2 SDF SMILES Flexibase

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) 2.39 6.82 -66.77 0 8 -1 99 489.577 7 ↓
Mid Mid (pH 6-8) 2.39 9.37 -72.81 1 8 0 100 490.585 7 ↓
Lo Low (pH 4.5-6) 2.39 9.39 -108.38 2 8 1 101 491.593 7 ↓
Lo Low (pH 4.5-6) 2.39 8.55 -53.47 2 8 1 97 491.593 7 ↓

Activity (Go SEA)

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