UCSF

ZINC41585467

Draw Identity 99% 90% 80% 70%

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]-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6-hydr (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) 5.26 11.82 -12.84 1 7 0 71 527.596 6 ↓
Mid Mid (pH 6-8) 5.26 14.62 -31.62 1 7 0 75 527.596 6 ↓
Mid Mid (pH 6-8) 5.26 12.41 -51.53 0 7 -1 74 526.588 6 ↓
Mid Mid (pH 6-8) 5.26 14.07 -41.76 2 7 1 72 528.604 6 ↓

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

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