UCSF

ZINC70112280

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-methylimidazo[1,2-a]pyridin-3-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) 3.47 9.68 -45.98 2 3 1 34 272.416 3 ↓
Hi High (pH 8-9.5) 3.47 8.71 -7.85 1 3 0 29 271.408 3 ↓
Lo Low (pH 4.5-6) 3.47 10.12 -97.81 3 3 2 35 273.424 3 ↓

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

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