UCSF

ZINC13278048

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 34 No

Popular Name: 2-[(5S)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-[4-(trifluoromethyl)phenyl]-5H-pyrrol-1-yl]-1,3-b 2-[(5S)-4-(cyclopropanecarbonyl)…

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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) 4.31 12.54 -97.45 0 7 -2 113 486.427 6 ↓
Mid Mid (pH 6-8) 3.72 11.58 -60.14 0 7 -1 107 487.435 6 ↓
Mid Mid (pH 6-8) 4.31 10.24 -64.38 1 7 -1 111 487.435 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.