UCSF

ZINC03995997

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 24 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) 0.92 -10.93 -13.29 4 9 0 125 335.364 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0603348A1; EP0607367A1; EP0609375A1; EP0675896A1; EP0689405A1; EP0719275A1; EP0758897A1; EP1006115A2; EP1006115A3; EP1011656A2; US4772607; US4780464; US5430027; US5432164; US5484774; US5516894; US5561134; US5578582; US5589467; US5652366; US5672588; US56 IBM Patent Data

Activity (Go SEA)

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