UCSF

ZINC08218909

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 34 No

CAS Number: 470-57-5

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) -4.90 -21.34 -21.71 11 16 0 269 504.438 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0324912A2; EP0610511A1; EP0646130B1; EP0653438A2; EP0653438A3; EP0699241A1; EP0699241B1; EP0728469A2; EP0728469A3; EP0819765A3; US4336170; US4932871; US5532352; US5541341; US5631389; US5686086; US5686603; US5739004; US5750733; US5767158; US5770727; US57 IBM Patent Data

Activity (Go SEA)

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