UCSF

ZINC02788794

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 26 No

Popular Name: 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-mercapto-3H-quinazolin-4-one 3-(1,5-Dimethyl-3-oxo-2-phenyl-2…

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CAS Number: 119426-88-9

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) 2.58 8.65 -65.68 0 6 -1 68 363.422 2 ↓
Ref Reference (pH 7) 2.85 9.61 -65.66 0 6 -1 62 363.422 2 ↓
Mid Mid (pH 6-8) 2.12 9.92 -27.98 1 6 0 65 364.43 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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