UCSF

ZINC22750068

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 32 No

Popular Name: N-(1-isopropylpyrazolo[4,5-e]pyridin-5-yl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide N-(1-isopropylpyrazolo[4,5-e]pyr…

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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) 3.14 11.28 -24.94 2 8 0 98 450.568 8 ↓
Mid Mid (pH 6-8) 3.86 10.86 -52.84 1 8 -1 95 449.56 8 ↓

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

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