UCSF

ZINC41584579

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

Popular Name: (2Z)-2-[(3-chlorophenyl)methylene]-6-hydroxy-4-methyl-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]benz (2Z)-2-[(3-chlorophenyl)methylen…

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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) 5.21 12.32 -41.52 2 5 1 68 461.969 4 ↓
Hi High (pH 8-9.5) 5.21 10.35 -7.95 1 5 0 67 460.961 4 ↓
Mid Mid (pH 6-8) 5.21 13.08 -33.91 1 5 0 71 460.961 4 ↓

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

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