UCSF

ZINC59268782

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2011 11 Yes

CAS Number: 17630-75-0

Other Names:

MFCD00191927

NA

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) 2.77 4.07 -5.55 1 2 0 25 167.595 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0104860A1; EP0208510A2; EP0208510B1; EP0570817A1; EP0570817B1; US4476307; US4678802; US4725616; US4791129; US4861880; US4879391; US4977178; US5284960; US5395963; WO1996023770A1; WO1999061422A1; WO2000008202A2; WO2000056709A1 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.