UCSF

ZINC70111274

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 20 Yes

Popular Name: (1S,2S,4R)-2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclohexanamine (1S,2S,4R)-2,4-dimethyl-N-[(2-me…

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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) 2.49 8.18 -53.37 2 4 1 47 273.404 3 ↓
Hi High (pH 8-9.5) 2.49 7.2 -7.78 1 4 0 42 272.396 3 ↓

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

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