UCSF

ZINC08220256

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 25 No

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) 4.48 -3.53 -113.29 4 6 -1 120 378.47 17

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0671917A1; EP0812199A1; EP0988552A1; EP1004598A3; EP1011654A1; EP1027443A2; EP1053243A1; US5260288; US5374616; US5391800; US5430169; US5583160; US5627171; US5663404; US5677189; US5712262; US5877167; US5989885; US6025365; US6057126; US6098631; US6150345 IBM Patent Data

Activity (Go SEA)

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