UCSF

ZINC41585919

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2E)-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofuran-3- (2E)-2-[(1-ethylindol-3-yl)methy…

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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) 4.21 11.56 -35.73 2 7 1 76 481.576 5 ↓
Hi High (pH 8-9.5) 4.21 11.97 -46.74 0 7 -1 78 479.56 5 ↓
Mid Mid (pH 6-8) 4.21 13.78 -103.18 3 7 2 77 482.584 5 ↓
Mid Mid (pH 6-8) 4.21 11.21 -11.94 1 7 0 75 480.568 5 ↓
Lo Low (pH 4.5-6) 4.21 13.43 -46.77 2 7 1 76 481.576 5 ↓

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

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