UCSF

ZINC05409881

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 20 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) 4.59 0.57 -4.66 1 1 0 20 260.336 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0746614A1; US5631360; US5686599; US5804683; US5831071; US5977343; WO1995023225A2; WO1998042387A1 IBM Patent Data

Activity (Go SEA)

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