UCSF

ZINC41648700

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 22 Yes

Popular Name: 2-Ethyl-6-(4-phenyl-piperazin-1-ylmethyl)-3H-pyrimidin-4-one 2-Ethyl-6-(4-phenyl-piperazin-1-…

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Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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) 1.97 8 -45.73 2 5 1 53 299.398 4 ↓
Mid Mid (pH 6-8) 1.97 5.75 -10.69 1 5 0 52 298.39 4 ↓
Mid Mid (pH 6-8) 2.43 5.48 -53.26 1 5 0 57 298.39 4 ↓

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

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