UCSF

ZINC53940846

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Substance Information

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

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

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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 8.33 -33.4 2 3 1 26 356.328 8 ↓
Hi High (pH 8-9.5) 2.61 7.27 -42.32 2 3 1 29 356.328 8 ↓
Lo Low (pH 4.5-6) 2.61 9.46 -113.4 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.