UCSF

ZINC41584784

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 No

Popular Name: [(2E)-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methylBLAHone [(2E)-2-[(1-ethylindol-3-yl)meth…

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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) 4.05 14.04 -50.39 2 7 1 82 508.598 4 ↓
Hi High (pH 8-9.5) 4.05 12.69 -59.64 0 7 -1 83 506.582 4 ↓
Mid Mid (pH 6-8) 4.05 14.8 -49.84 1 7 0 85 507.59 4 ↓
Mid Mid (pH 6-8) 4.05 11.92 -15.19 1 7 0 81 507.59 4 ↓

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

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