UCSF

ZINC33493365

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 17 No

CAS Number: 28585-51-5

Other Names:

MFCD03788706

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) -1.09 -2.69 -18.59 3 6 0 87 258.299 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0637965A1; EP0643720A1; EP0643720B1; EP0719272A1; EP0789707A1; EP0923596A2; EP1015643A2; EP1025120A2; EP1027364A2; EP1027372A1; US5064946; US5145840; US5502177; US5645985; US5763588; US5792608; US5830653; US5912340; US5969135; US6005096; US6007992; US60 IBM Patent Data

Activity (Go SEA)

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