UCSF

ZINC26892638

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 9 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) -0.64 -1.83 -11.28 1 4 0 59 132.115 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0455473A1; US5097049; US5183910; US5256807; US5296615 IBM Patent Data

Activity (Go SEA)

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