UCSF

ZINC02020064

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 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) -1.20 -8.09 -10.28 3 7 0 104 262.649 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0539371A1; EP0723598A1; US4097665; US5077034; US5094835; US5308605; US5399676; US5527899; US5721218; WO1985001871A1; WO1992010590A1 IBM Patent Data

Activity (Go SEA)

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