UCSF

ZINC41585866

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 No

Popular Name: (2E)-6-hydroxy-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-4-methyl-7-[[4-(2-pyridyl)piperazin-1-yl (2E)-6-hydroxy-2-[(5-methoxy-1-m…

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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) 4.25 10.56 -36.92 2 8 1 85 511.602 5 ↓
Hi High (pH 8-9.5) 4.25 10.98 -49.5 0 8 -1 87 509.586 5 ↓
Mid Mid (pH 6-8) 4.25 11.32 -55.32 1 8 0 88 510.594 5 ↓
Mid Mid (pH 6-8) 4.25 10.22 -13.78 1 8 0 84 510.594 5 ↓
Mid Mid (pH 6-8) 4.25 12.43 -47.64 2 8 1 85 511.602 5 ↓
Lo Low (pH 4.5-6) 4.25 12.77 -103.22 3 8 2 86 512.61 5 ↓

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

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