UCSF

ZINC15273169

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2008 13 No

CAS Numbers: 469-90-9 , [469-90-9]

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) -2.09 -8.49 -11.22 4 6 0 99 192.167 1

Vendor Notes

Note Type Comments Provided By
MP 102 TCI
PUBCHEM_PATENT_ID EP0112332B1; EP0179882A1; EP0240175A1; EP0240175B1; EP0475160B1; US4410515; US4457918; US4521410; US4661294; US4824943; US5656169; US6165500; WO1984000107A1; WO1994029242A1 IBM Patent Data

Activity (Go SEA)

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