UCSF

ZINC39225235

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 23 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) 2.05 10.22 -55.14 0 5 -1 78 308.313 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4166125 IBM Patent Data

Activity (Go SEA)

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