UCSF

ZINC41585818

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 No

Popular Name: 6-hydroxy-2-isopropylidene-4-methyl-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofuran-3-one 6-hydroxy-2-isopropylidene-4-met…

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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) 3.22 7.33 -34.62 2 6 1 71 380.468 3 ↓
Hi High (pH 8-9.5) 3.22 7.77 -44.27 0 6 -1 73 378.452 3 ↓
Mid Mid (pH 6-8) 3.22 8.09 -52.62 1 6 0 74 379.46 3 ↓
Mid Mid (pH 6-8) 3.22 7.02 -9.83 1 6 0 70 379.46 3 ↓
Mid Mid (pH 6-8) 3.22 9.25 -44.49 2 6 1 71 380.468 3 ↓
Lo Low (pH 4.5-6) 3.22 9.55 -101.37 3 6 2 72 381.476 3 ↓

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

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