UCSF

ZINC48947732

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Substance Information

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

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

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Download: MOL2 SDF SMILES Flexibase

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) 0.72 4.15 -39.16 3 4 1 49 293.431 6 ↓
Hi High (pH 8-9.5) 0.72 3.4 -4.36 2 4 0 48 292.423 6 ↓
Mid Mid (pH 6-8) 0.72 5.67 -33.79 3 4 1 49 293.431 6 ↓

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

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