UCSF

ZINC41584713

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 No

Popular Name: (6-hydroxy-2-isopropylidene-4-methyl-3-oxo-benzofuran-7-yl)methylBLAHone (6-hydroxy-2-isopropylidene-4-me…

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Download: MOL2 SDF SMILES Flexibase

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Vendors

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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) 3.06 10.13 -55.89 2 6 1 77 407.49 2 ↓
Hi High (pH 8-9.5) 3.06 8.57 -45.01 0 6 -1 79 405.474 2 ↓
Mid Mid (pH 6-8) 3.06 10.71 -32.43 1 6 0 80 406.482 2 ↓
Mid Mid (pH 6-8) 3.06 7.99 -20.13 1 6 0 76 406.482 2 ↓

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

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