UCSF

ZINC31554200

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 24 Yes

Popular Name: 4-(Methylamino)-2-(4-piperonyl-1-piperazinyl)pyrimidine dimethanesulfonate hydrate; LS-135483; Pyrimidine, 4-(methylamino)-2-(4-piperonyl-1-piperazinyl)-, dimethanesulfonate, hydrate 4-(Methylamino)-2-(4-piperonyl-1…

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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) 2.13 9.23 -97.91 3 7 2 65 329.404 4 ↓
Hi High (pH 8-9.5) 2.13 6.67 -10.52 1 7 0 63 327.388 4 ↓
Mid Mid (pH 6-8) 2.13 7.01 -31.83 2 7 1 64 328.396 4 ↓
Mid Mid (pH 6-8) 2.13 8.89 -46.87 2 7 1 64 328.396 4 ↓

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