UCSF

ZINC06661609

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 17 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) -0.61 4.33 -67.48 1 7 -1 113 247.223 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0204476A1; EP0204476B1; EP0537559A1; EP0537559B1; EP0544900A1; EP0552234B1; EP0577122B1; EP0603768B1; EP0661591A2; EP0661591A3; EP0661591B1; EP0694598A2; EP0694598A3; EP0694598B1; EP0831767A1; US4010253; US4091822; US4279990; US4666704; US4931094; US502 IBM Patent Data

Activity (Go SEA)

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