UCSF

ZINC04635499

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2005 18 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) 3.15 -2.67 -46.59 3 2 1 36 244.358 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0279986A1; EP0279986B1; EP0280413A1; EP0280413B1; EP0378644A1; EP0608893A1; EP0647448A1; EP0737066A1; EP0785775A1; EP1003494A1; EP1021204A2; EP1023896A2; EP1041987A1; EP1059916A1; US4126684; US4464378; US4473640; US4568343; US4746515; US4865848; US49005 IBM Patent Data

Activity (Go SEA)

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