UCSF

ZINC33830156

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 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) 1.18 1.17 -4.08 1 2 0 29 132.203 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0802905A1; EP0802905B1; EP0835248A1; EP0971904A1; US4067903; US5733850; US6150303; US6165944; WO1998031681A1; WO1998042671A1 IBM Patent Data

Activity (Go SEA)

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