UCSF

ZINC40440043

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 29 No

Popular Name: 4-(4-pyrimidin-2-ylpiperazin-1-yl)butylBLAHdione 4-(4-pyrimidin-2-ylpiperazin-1-y…

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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) 1.02 12.61 -42.67 1 7 1 71 396.515 6 ↓
Mid Mid (pH 6-8) 1.02 10.39 -12.14 0 7 0 70 395.507 6 ↓

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