UCSF

ZINC04217283

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 26 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) 5.20 -0.02 -44.03 2 2 1 24 348.51 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0290482A1; EP0290482B1; EP0608893A1; EP0647448A1; EP0785775A1; EP1003494A1; EP1011658A1; EP1023896A2; EP1041987A1; EP1053238A1; US4126684; US4464378; US4473640; US4806341; US5321012; US5478577; US5556838; US5654281; US5672360; US5958452; US5965161; US59 IBM Patent Data

Activity (Go SEA)

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