UCSF

ZINC04027386

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 31 No

CAS Number: 1059-14-9

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) 8.11 2.58 -1.2 1 1 0 20 426.729 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1000613A3; US3952047; US4588717; US4705875; US4808574; US5804206; US6086886; WO1998038971A1; WO1999051250A1; WO1999063031A1 IBM Patent Data
UniProt Database Links LUP1_ARATH; PEN6_ARATH ChEBI

Activity (Go SEA)

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