UCSF

ZINC13544132

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 24 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) -2.79 8.71 -51.22 1 8 0 105 369.395 15

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1996040694A1 IBM Patent Data

Activity (Go SEA)

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