UCSF

ZINC65535350

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Popular Name: 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-{[(tetrahydro-2-furanylmethyl)imino]methyl}-1,2-dihydro-3H-pyrazol-3-one 2-(1,3-benzothiazol-2-yl)-5-phen…

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Other Names:

MFCD01210629

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) 2.51 8.97 -53.92 1 6 1 55 388.542 4 ↓
Hi High (pH 8-9.5) 2.51 6.75 -19.18 0 6 0 54 387.534 4 ↓

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

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