UCSF

ZINC41584762

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

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

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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) 3.39 12.58 -68.44 2 9 1 123 486.504 4 ↓
Hi High (pH 8-9.5) 3.39 11.01 -41.04 0 9 -1 124 484.488 4 ↓
Mid Mid (pH 6-8) 3.39 10.43 -21.78 1 9 0 122 485.496 4 ↓
Mid Mid (pH 6-8) 3.39 13.16 -38.64 1 9 0 126 485.496 4 ↓

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

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