UCSF

ZINC22675433

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 39 Yes

Popular Name: 2-[4-[[6-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-4-oxo-pyran-3-yl]oxymethyl]phenyl]benzon 2-[4-[[6-[[4-(3-cyclopentylpropa…

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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) 4.49 14.76 -22.46 0 7 0 87 525.649 9 ↓
Mid Mid (pH 6-8) 4.49 17.07 -69.53 1 7 1 88 526.657 9 ↓

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Rings

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

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