UCSF

ZINC05783763

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 10 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) -4.67 -2.94 -43.93 2 6 1 94 139.094 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0586523A1; US4092305; US5213972; US5728684; WO1992020816A1 IBM Patent Data

Activity (Go SEA)

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