UCSF

ZINC13278029

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Substance Information

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

Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazol 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) 3.58 11.6 -98.11 0 7 -2 113 436.42 5 ↓
Mid Mid (pH 6-8) 2.99 10.64 -59.67 0 7 -1 107 437.428 5 ↓
Mid Mid (pH 6-8) 3.58 9.31 -64.13 1 7 -1 111 437.428 4 ↓

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

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