UCSF

ZINC65311646

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 29 Yes

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

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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) 0.96 12.12 -94.42 2 9 2 74 403.531 4 ↓
Hi High (pH 8-9.5) 0.96 7.65 -14.66 0 9 0 71 401.515 4 ↓
Mid Mid (pH 6-8) 0.96 9.88 -52.49 1 9 1 72 402.523 4 ↓

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

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