UCSF

ZINC25490667

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 20 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) 3.66 11.5 -38.55 1 3 1 31 276.4 7
Hi High (pH 8-9.5) 3.66 9.27 -6.08 0 3 0 30 275.392 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0506478B1; US5250542 IBM Patent Data

Activity (Go SEA)

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