UCSF

ZINC34541076

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 14 No

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) 2.81 7.7 -6.67 0 2 0 26 190.242 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1028955A1 IBM Patent Data

Activity (Go SEA)

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