UCSF

ZINC03828984

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 31 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) 0.32 -0.81 -111.91 3 7 0 102 443.397 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0726269A1; US5668147 IBM Patent Data

Activity (Go SEA)

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