UCSF

ZINC41585274

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 6.14 13.16 -10.79 1 6 0 62 528.052 5 ↓
Mid Mid (pH 6-8) 6.14 15.99 -31.22 1 6 0 66 528.052 5 ↓
Mid Mid (pH 6-8) 6.14 15.42 -47.84 2 6 1 63 529.06 5 ↓
Mid Mid (pH 6-8) 6.14 13.76 -45.92 0 6 -1 65 527.044 5 ↓

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

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