UCSF

ZINC57995751

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 30 No

Popular Name: 3-[isobutyl-[[4-(3-methoxypropyl)-5-oxo-1-thioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl]methyl]amino] 3-[isobutyl-[[4-(3-methoxypropyl…

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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) 1.79 15.19 -55.25 1 8 1 82 429.57 10 ↓
Mid Mid (pH 6-8) 1.79 13.13 -14.67 0 8 0 81 428.562 10 ↓

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

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