UCSF

ZINC48947633

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Substance Information

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

Popular Name: (1S,2R)-1-(4-ethylphenyl)-N2-methyl-N2-[[(2S)-tetrahydropyran-2-yl]methyl]propane-1,2-diamine (1S,2R)-1-(4-ethylphenyl)-N2-met…

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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) 1.58 6.81 -39.71 3 3 1 40 291.459 6 ↓
Hi High (pH 8-9.5) 1.58 6.38 -2.17 2 3 0 38 290.451 6 ↓
Mid Mid (pH 6-8) 1.58 8.43 -115.32 4 3 2 41 292.467 6 ↓

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

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