UCSF

ZINC41584783

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 No

Popular Name: [(2Z)-6-hydroxy-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-7-yl]methylBLAHone [(2Z)-6-hydroxy-2-[(1-methylindo…

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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) 3.67 13.59 -65.54 2 7 1 82 494.571 3 ↓
Hi High (pH 8-9.5) 3.67 12.03 -48.5 0 7 -1 83 492.555 3 ↓
Mid Mid (pH 6-8) 3.67 11.44 -23.94 1 7 0 81 493.563 3 ↓
Mid Mid (pH 6-8) 3.67 14.17 -40.62 1 7 0 85 493.563 3 ↓

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

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