UCSF

ZINC04934076

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 32 No

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) 8.08 16.77 -4.2 0 3 0 36 444.7 8

Vendor Notes

Note Type Comments Provided By
MP 114 TCI
PUBCHEM_PATENT_ID EP0932084A1; EP0980028A1; US3944330; US4035060; US6017386 IBM Patent Data

Activity (Go SEA)

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