UCSF

ZINC39274154

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 10 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) 2.52 3.16 -1.97 1 2 0 29 146.23 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0095578A2; EP0256031A1; EP0256031B1; EP0359546A2; EP0359546B1; EP0555223B1; EP0629640B1; EP0666847B1; EP0702395A3; EP0702395B1; EP0831851A1; EP0835117A1; US4012655; US4073719; US4073720; US4120761; US4300912; US4331719; US4336344; US4404308; US4525245 IBM Patent Data
PUBCHEM_PATENT_ID EP0578550B1 IBM Patent Data

Activity (Go SEA)

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