UCSF

ZINC71490129

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 13 Yes

Popular Name: (2-piperazin-1-ylthiazol-4-yl)methanamine (2-piperazin-1-ylthiazol-4-yl)me…

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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) -0.19 0.92 -94.83 5 4 2 60 200.311 2 ↓
Hi High (pH 8-9.5) -0.19 -0.78 -5.16 3 4 0 54 198.295 2 ↓
Hi High (pH 8-9.5) -0.19 -0.37 -40.94 4 4 1 56 199.303 2 ↓

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Rings

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

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