UCSF

ZINC43065475

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 29 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) 7.42 13.39 -2.31 1 1 0 20 396.659 5
Ref Reference (pH 7) 7.42 13.57 -2.14 1 1 0 20 396.659 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0098743A1; EP0177953A2; EP0332692A1; EP0374779A2; EP0493533A1; EP0758233A1; EP0839535A1; US4518789; US4649939; US4870955; US4894376; US4900553; US4973249; US5009674; US5026404; US5038802; US5351819; US5377841; US5447104; US5672622; US5731042; US5847010 IBM Patent Data

Activity (Go SEA)

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