UCSF

ZINC34364316

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 8 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) -0.12 -0.65 -11.98 2 3 0 60 115.132 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0788479A1; EP0788479B1; EP0939078A2; US5707937; US5807807; US6117822 IBM Patent Data

Activity (Go SEA)

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