UCSF

ZINC78141845

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2012 21 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) 0.68 9.23 -53.3 0 4 -1 60 324.447 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4316906 IBM Patent Data

Activity (Go SEA)

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