UCSF

ZINC00967809

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 11 Yes

CAS Numbers: 2102-59-2 , 99-48-9

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) 2.70 3.87 -2.35 1 1 0 20 152.237 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 227? Alfa-Aesar
Boiling_Point 227° Alfa-Aesar
UniProt Database Links CP2C9_HUMAN; CP2CJ_HUMAN; DBR_TOBAC; LIHY_GEOSE; LIMC_RHOER ChEBI
Patent Database Links US2002049346; US2007184133 ChEBI

Activity (Go SEA)

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