UCSF

ZINC55503753

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 21 No

Popular Name: (4-methylthiazol-2-yl)methylBLAHone (4-methylthiazol-2-yl)methylBLAHone

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Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 2.40 6.56 -13.01 1 4 0 59 335.479 2 ↓
Hi High (pH 8-9.5) 2.86 4.36 -48.35 0 4 -1 62 334.471 2 ↓

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

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