UCSF

ZINC05085522

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 9 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) 2.32 0.59 -2.02 0 1 0 9 126.199 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0676952B1; EP0676953B1; US4066747; US4070347; US4079038; US4093709; US4119579; US4131648; US4136252; US4138344; US4155740; US4155992; US4180646; US4186185; US4246397; US4259102; US4282201; US4322323; US4346709; US4713441; US4801457; US4898928; WO1994014 IBM Patent Data

Activity (Go SEA)

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