UCSF

ZINC13276039

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Substance Information

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

Popular Name: 3-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxo-2H-pyrrol-1-yl]b 3-[(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) 2.53 8.53 -126.44 0 9 -2 128 435.388 6 ↓
Mid Mid (pH 6-8) 1.95 7.61 -78.02 0 9 -1 122 436.396 6 ↓
Mid Mid (pH 6-8) 2.53 6.32 -84.52 1 9 -1 125 436.396 5 ↓

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

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