UCSF

ZINC34567029

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 17 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) 5.12 7.86 -41.69 3 1 1 28 236.423 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0392059A1; EP0392059B1; US5061703 IBM Patent Data

Activity (Go SEA)

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