UCSF

ZINC41585871

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 27 No

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

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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) 2.85 6.96 -36.36 2 6 1 71 366.441 3 ↓
Hi High (pH 8-9.5) 2.85 7.26 -42.58 0 6 -1 73 364.425 3 ↓
Mid Mid (pH 6-8) 2.85 9.22 -102.38 3 6 2 72 367.449 3 ↓
Mid Mid (pH 6-8) 2.85 6.66 -10.63 1 6 0 70 365.433 3 ↓
Lo Low (pH 4.5-6) 2.85 8.91 -44.66 2 6 1 71 366.441 3 ↓

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

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