UCSF

ZINC59715343

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 35 Yes

Popular Name: 6-cyclohexyl-5-(4-methoxyphenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]thieno[3,2-b]pyrrole-2-ca 6-cyclohexyl-5-(4-methoxyphenyl)…

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Download: MOL2 SDF SMILES Flexibase

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) 4.59 14.64 -92.53 1 7 0 79 495.645 6 ↓
Mid Mid (pH 6-8) 4.59 12.29 -61.86 0 7 -1 78 494.637 6 ↓

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Rings

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

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