UCSF

ZINC06118956

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 9 Yes

CAS Number: 270-82-6

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) 2.71 5.68 -4.77 0 0 0 0 134.203 0

Vendor Notes

Note Type Comments Provided By
Patent Database Links EP1911754; EP1997805; US2002065230; US2004029886; US2005137232; US2005159470; US2005222194; US2005261334; US2008287490; WO2005030751; WO2005113548; WO2006068978 ChEBI
PUBCHEM_PATENT_ID US5280009 IBM Patent Data

Activity (Go SEA)

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