UCSF

ZINC04365739

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 15 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) 3.59 0.63 -8.61 0 1 0 12 193.249 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0950656A1; EP1029541A1; US6150394 IBM Patent Data

Activity (Go SEA)

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