UCSF

ZINC22780039

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 27 Yes

Popular Name: 7-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]thiazolo[2,3-b]pyrimidin-5-one 7-[[4-(1,3-benzothiazol-2-ylmeth…

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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) 2.29 6.21 -39.8 1 6 1 55 398.537 4 ↓
Mid Mid (pH 6-8) 2.29 5.94 -16.64 0 6 0 54 397.529 4 ↓
Mid Mid (pH 6-8) 2.29 8.32 -50.26 1 6 1 55 398.537 4 ↓
Lo Low (pH 4.5-6) 2.29 8.46 -96.03 2 6 2 56 399.545 4 ↓

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Rings

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

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