UCSF

ZINC01602221

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 25 Yes

Other Names:

MFCD00519910

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) 5.06 2.36 -10.45 0 3 0 27 326.399 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0026088A2; EP0113437A1; EP0137217A1; EP0137218A1; EP0194469A1; EP0231835A2; EP0231835B1; US4349619; US4567125; US4652507; US4654283; US4668600; US4762760; US4869983 IBM Patent Data

Activity (Go SEA)

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