UCSF

ZINC05134038

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 9 Yes

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) 2.00 -1.29 -34.57 2 1 1 16 126.223 0

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0188373A2; EP0865281A1; EP0888271A1; EP0920430A1; EP0922045A1; EP0934310A1; EP0968206A1; EP0988292A2; EP0993437A1; EP0993439A1; EP1040108A1; US4604380; US4678800; US4818270; US5280034; US5589499; US5693641; US5753635; US5846970; US5846972; US5849759; US IBM Patent Data

Activity (Go SEA)

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