UCSF

ZINC41584750

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: [(2E)-2-[(4-dimethylaminophenyl)methylene]-6-hydroxy-4-methyl-3-oxo-benzofuran-7-yl]methylBLAHone [(2E)-2-[(4-dimethylaminophenyl)…

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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) 3.93 12.47 -50.55 2 7 1 80 498.603 4 ↓
Hi High (pH 8-9.5) 3.93 11.1 -60.84 0 7 -1 82 496.587 4 ↓
Mid Mid (pH 6-8) 3.93 10.32 -15.15 1 7 0 79 497.595 4 ↓
Mid Mid (pH 6-8) 3.93 13.21 -50.57 1 7 0 83 497.595 4 ↓
Lo Low (pH 4.5-6) 3.93 13.24 -77.88 3 7 0 81 499.611 4 ↓

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

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