UCSF

ZINC01513977

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 12 Yes

Popular Name: 4-Chloro-2,6-dimethyl-nicotinic acid 4-Chloro-2,6-dimethyl-nicotinic …

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1060805-95-9 , 56022-09-4 , 56961-30-9 , [1060805-95-9] , [56022-09-4]

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) 1.71 4.05 -48.53 0 3 -1 53 184.602 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

Activity (Go SEA)

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

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