UCSF

ZINC41585867

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 39 No

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

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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) 4.62 11.49 -35.27 2 8 1 85 525.629 6 ↓
Hi High (pH 8-9.5) 4.62 11.91 -49.25 0 8 -1 87 523.613 6 ↓
Mid Mid (pH 6-8) 4.62 12.26 -54.24 1 8 0 88 524.621 6 ↓
Mid Mid (pH 6-8) 4.62 11.14 -13.08 1 8 0 84 524.621 6 ↓
Mid Mid (pH 6-8) 4.62 13.35 -46.36 2 8 1 85 525.629 6 ↓
Lo Low (pH 4.5-6) 4.62 13.7 -101.52 3 8 2 86 526.637 6 ↓

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

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