UCSF

ZINC00822161

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 27 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) 5.12 2.38 -10.87 0 4 0 36 356.425 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0026088A2; US4349619 IBM Patent Data

Activity (Go SEA)

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