UCSF

ZINC13278034

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 31 No

Popular Name: 2-[(2R)-2-(3-bromophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazole 2-[(2R)-2-(3-bromophenyl)-3-(cyc…

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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) 4.20 12.2 -102.2 0 7 -2 113 497.326 5 ↓
Mid Mid (pH 6-8) 3.61 11.28 -61.83 0 7 -1 107 498.334 5 ↓
Mid Mid (pH 6-8) 4.20 10.03 -66.05 1 7 -1 111 498.334 4 ↓

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

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