UCSF

ZINC02456131

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 12 Yes

Popular Name: 5-(Dimethylamino)nicotinic Acid 5-(Dimethylamino)nicotinic Acid

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CAS Numbers: 30766-20-2 , 588702-80-1 , [30766-20-2]

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) 0.52 3.67 -47.64 0 4 -1 56 165.172 2 ↓
Mid Mid (pH 6-8) 0.52 4.13 -42.58 1 4 0 58 166.18 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

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