UCSF

ZINC13278164

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 29 No

Popular Name: 2-[(5S)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-(2-thienyl)-5H-pyrrol-1-yl]-1,3-benzothiazole-6-c 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) 3.31 10.5 -100.02 0 7 -2 113 424.459 5 ↓
Mid Mid (pH 6-8) 2.73 9.55 -58.95 0 7 -1 107 425.467 5 ↓
Mid Mid (pH 6-8) 3.31 8.29 -63.53 1 7 -1 111 425.467 4 ↓

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

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