UCSF

ZINC39312036

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 20 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) -0.56 6.05 -64.78 0 6 -1 87 302.372 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4316906 IBM Patent Data

Activity (Go SEA)

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