UCSF

ZINC03631470

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 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) 0.90 -0.51 -10.42 2 3 0 60 151.231 3

Vendor Notes

Note Type Comments Provided By
MP 48 - 50 Enamine Building Blocks
MP 48...50 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0697407A1; EP0697407B1; EP0726254A1; EP0726254B1; EP0934296A1; US4095983; US5627193; US6066631; WO1998004542A1; WO2000012492A1 IBM Patent Data

Activity (Go SEA)

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