UCSF

ZINC34334419

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 14 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) 2.87 4.75 -6.91 1 3 0 47 200.278 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0313379A2; EP0313379B1; EP0388225A2; EP0396410A2; EP0405983A2; EP0405983A3; US5045228; US5124069; US5164113 IBM Patent Data

Activity (Go SEA)

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