UCSF

ZINC13278063

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 33 No

Popular Name: 2-[(2S)-2-(4-carboxyphenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazo 2-[(2S)-2-(4-carboxyphenyl)-3-(c…

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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) 3.32 12.1 -162.37 0 9 -3 154 461.431 6 ↓
Mid Mid (pH 6-8) 2.74 10.2 -112.73 0 9 -2 148 462.439 6 ↓
Mid Mid (pH 6-8) 3.32 8.86 -116.76 1 9 -2 151 462.439 5 ↓

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

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