UCSF

ZINC00000807

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 20 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) 3.64 3.5 -39.75 1 3 1 30 276.4 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0647448A1; EP0737066A1; EP0785775A1; EP1021204A2; EP1023896A2; EP1041987A1; EP1059916A1; US3959470; US4005070; US4389404; US5149538; US5446070; US5478577; US5656286; US5672360; US5719197; US5958452; US5965161; US5968551; US6024976; US6159501; WO19950164 IBM Patent Data

Activity (Go SEA)

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