UCSF

ZINC95890305

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 23 Yes

Popular Name: 2-(2-Methyl-4-piperonyl-1-piperazinyl)pyrimidine dihydrochloride; LS-135497; Pyrimidine, 2-(2-methyl-4-piperonyl-1-piperazinyl)-, dihydrochloride 2-(2-Methyl-4-piperonyl-1-pipera…

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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) 2.26 8.25 -9.4 0 6 0 51 312.373 3 ↓
Mid Mid (pH 6-8) 2.26 10.46 -46.37 1 6 1 52 313.381 3 ↓

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

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