UCSF

ZINC13277509

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 34 No

Popular Name: 3-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-5-oxo-2H-p 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) 2.75 10.89 -122.08 0 9 -2 128 463.442 6 ↓
Mid Mid (pH 6-8) 2.16 9.91 -71.26 0 9 -1 122 464.45 6 ↓
Mid Mid (pH 6-8) 2.75 8.62 -77.95 1 9 -1 125 464.45 5 ↓

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

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