UCSF

ZINC17002804

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 16 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) 4.07 6.91 -3.16 1 1 0 20 220.356 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0029603A1; EP0162672A1; EP0183970A1; EP0203528A2; EP0216262A2; EP0542964B1; EP0787176A1; EP0790820A1; EP0805673A1; EP0829463A2; EP0829463A3; EP0883399A1; EP0885279A1; EP0886516A1; EP0888440A1; EP0888441A1; EP1059086A1; EP1061890A1; EP1061894A1; US394462 IBM Patent Data

Activity (Go SEA)

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