UCSF

ZINC53941155

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 21 Yes

Popular Name: (1R)-1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-1-(3-bromophenyl)-N-ethyl-N…

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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) 2.61 7.18 -40.75 2 3 1 29 356.328 8 ↓
Mid Mid (pH 6-8) 2.61 8.57 -34.47 2 3 1 26 356.328 8 ↓
Lo Low (pH 4.5-6) 2.61 9.58 -114.43 3 3 2 30 357.336 8 ↓

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

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