UCSF

ZINC71790268

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 16 Yes

Other Names:

MFCD20501921

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) 1.60 3.98 -10.83 1 4 0 63 231.129 1

Vendor Notes

Note Type Comments Provided By
MP 269 - 271 Enamine Building Blocks
MP 269...271 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0027214A1; EP0197282A1; EP0293500A1; US3984562; US4316839; US4346030; US4346031; US4346032; US4346033; US4346034; US4346035; US4346036; US4359420; US4363762; US4670433; US4684654; US4727153; US4772696 IBM Patent Data

Activity (Go SEA)

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