UCSF

ZINC34041467

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2009 23 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) 1.72 5.26 -14.79 3 5 0 70 315.348 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5384330 IBM Patent Data

Activity (Go SEA)

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