UCSF

ZINC20281208

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 11 Yes

Popular Name: N~2~,N~2~-diethyl-3-methylbutane-1,2-diamine N~2~,N~2~-diethyl-3-methylbutane…

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CAS Number: 860704-25-2

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) 1.01 1.85 -40.11 3 2 1 31 159.297 5 ↓
Hi High (pH 8-9.5) 1.01 3.84 -26.38 3 2 1 30 159.297 5 ↓
Mid Mid (pH 6-8) 1.01 3.84 -112.05 4 2 2 32 160.305 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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