UCSF

ZINC14473205

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2008 20 Yes

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) 3.20 5.66 -12.74 1 5 0 57 281.352 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999051227A1 IBM Patent Data

Activity (Go SEA)

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