UCSF

ZINC65311628

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 28 Yes

Popular Name: 8-[[5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-1,4-dioxa-8-aza 8-[[5-methyl-7-(4-methylpiperazi…

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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) 0.59 11.33 -94.13 2 9 2 74 389.504 3 ↓
Hi High (pH 8-9.5) 0.59 6.75 -14.98 0 9 0 71 387.488 3 ↓
Mid Mid (pH 6-8) 0.59 9.11 -54.53 1 9 1 72 388.496 3 ↓

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

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