UCSF

ZINC53941152

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 20 Yes

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

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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) 2.24 7.62 -37.55 2 3 1 26 342.301 7 ↓
Hi High (pH 8-9.5) 2.24 6.32 -44.13 2 3 1 29 342.301 7 ↓
Lo Low (pH 4.5-6) 2.24 8.73 -116.71 3 3 2 30 343.309 7 ↓

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

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