UCSF

ZINC15442195

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 9 Yes

Popular Name: 3,6-Dimethyl-2-pyridinamine 3,6-Dimethyl-2-pyridinamine

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CAS Numbers: 823-61-0 , [823-61-0]

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) 0.98 3.3 -25.02 3 2 1 40 123.179 0 ↓
Hi High (pH 8-9.5) 0.98 2.85 -4.93 2 2 0 39 122.171 0 ↓
Hi High (pH 8-9.5) -2.11 1.55 -67.77 7 9 1 145 435.611 17 ↓

Vendor Notes

Note Type Comments Provided By
MP 46-50° Oakwood Chemical

Activity (Go SEA)

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