UCSF

ZINC39378194

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 31 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) 5.13 7.61 -6.01 2 4 0 59 432.645 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4193921; US4305881 IBM Patent Data

Activity (Go SEA)

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