UCSF

ZINC34468834

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 25 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) 3.75 5.65 -25.1 1 7 0 100 493.594 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3954732; US4009159; US4056521; US4084049; US4164497; US4203897; US4218374 IBM Patent Data

Activity (Go SEA)

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