UCSF

ZINC13278065

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 32 No

Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazo 2-[(2S)-3-(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) 3.44 10.85 -98.96 0 8 -2 123 448.456 6 ↓
Mid Mid (pH 6-8) 2.86 9.87 -56.51 0 8 -1 117 449.464 6 ↓
Mid Mid (pH 6-8) 3.44 8.53 -61.2 1 8 -1 120 449.464 5 ↓

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

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