UCSF

ZINC41070276

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 28 Yes

Popular Name: (4-methylpiperazin-1-yl)-[3-[(2,3,5-trimethylpyrazolo[4,3-d]pyrimidin-7-yl)amino]phenyl]methanone (4-methylpiperazin-1-yl)-[3-[(2,…

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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) 1.35 9 -50.24 2 8 1 80 380.476 3 ↓
Mid Mid (pH 6-8) 1.35 6.66 -14.62 1 8 0 79 379.468 3 ↓

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

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