UCSF

ZINC37357072

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 11 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) 0.84 1.7 -6.62 0 3 0 36 154.213 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0944609A1; EP0948455A1; EP0950016A1; EP0951438A1; EP1036070A1; US5814242; US5888419; US6010994; US6046150; WO1998023531A1; WO1998023533A1; WO1998023534A1; WO1998023601A1; WO1998023602A1 IBM Patent Data

Activity (Go SEA)

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