UCSF

ZINC16576676

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 18 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) 3.68 9.79 -48.78 0 2 -1 40 243.257 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1991017740A1; WO1991017747A1; WO1992005768A1 IBM Patent Data

Activity (Go SEA)

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