UCSF

ZINC41585920

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2E)-6-hydroxy-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]b (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) 3.87 9.93 -36 2 8 1 85 497.575 5 ↓
Hi High (pH 8-9.5) 3.87 10.34 -48.28 0 8 -1 87 495.559 5 ↓
Mid Mid (pH 6-8) 3.87 12.14 -102.43 3 8 2 86 498.583 5 ↓
Mid Mid (pH 6-8) 3.87 9.58 -13.52 1 8 0 84 496.567 5 ↓
Lo Low (pH 4.5-6) 3.87 11.79 -47.37 2 8 1 85 497.575 5 ↓

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

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