UCSF

ZINC53431210

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 18 Yes

Popular Name: N'-methyl-N-[(1R,3S)-3-methylcyclohexyl]-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N'-methyl-N-[(1R,3S)-3-methylcyc…

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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) 2.41 5.16 -37.25 2 3 1 29 255.426 6 ↓
Hi High (pH 8-9.5) 2.41 4.02 -2.5 1 3 0 24 254.418 6 ↓
Lo Low (pH 4.5-6) 2.41 7.56 -112.38 3 3 2 30 256.434 6 ↓

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

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