UCSF

ZINC38265670

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 12 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) 2.07 5.15 -3.62 0 2 0 18 166.22 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0627433A1; US5554757; US5557002; US5559236; US5583229; US5587504; US5608068; US5618969; US5700938 IBM Patent Data

Activity (Go SEA)

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