UCSF

ZINC35081343

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 18 Yes

Popular Name: 5-(4-isopentylpiperazin-1-yl)pyridin-2-amine 5-(4-isopentylpiperazin-1-yl)pyr…

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Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.34 6.83 -84.77 4 4 2 48 250.39 4 ↓
Hi High (pH 8-9.5) 2.34 4.15 -4.75 2 4 0 45 248.374 4 ↓
Hi High (pH 8-9.5) 2.34 6.37 -40.51 3 4 1 47 249.382 4 ↓
Mid Mid (pH 6-8) 2.34 4.62 -27.88 3 4 1 47 249.382 4 ↓

Activity (Go SEA)

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