UCSF

ZINC13278017

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Substance Information

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

Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazole 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) 3.37 12.25 -97.12 0 10 -2 159 463.427 6 ↓
Mid Mid (pH 6-8) 2.79 11.25 -64.08 0 10 -1 153 464.435 6 ↓
Mid Mid (pH 6-8) 3.37 9.91 -67.91 1 10 -1 156 464.435 5 ↓

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

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