UCSF

ZINC54701062

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 20 Yes

Popular Name: 2-[4-(3-fluoro-2-pyridyl)piperazin-1-yl]aniline 2-[4-(3-fluoro-2-pyridyl)piperaz…

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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) 2.28 7.02 -5.63 2 4 0 45 272.327 2 ↓
Lo Low (pH 4.5-6) 2.28 7.34 -93.32 4 4 2 48 274.343 2 ↓
Lo Low (pH 4.5-6) 2.28 6.86 -40.97 3 4 1 47 273.335 2 ↓

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Rings

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

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