UCSF

ZINC03734438

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 12 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) 3.95 -0.01 -34.15 2 1 1 16 170.32 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0299209A2; EP0299209B1; EP0497258A2; EP0497258A3; EP0644762B1; US4925849; US4994453; US5087629; US5102869; US5102878; US5179103; US5296490; US5338743; US5643938; WO1993025205A1 IBM Patent Data

Activity (Go SEA)

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