UCSF

ZINC14760184

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 25 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) 4.40 8.25 -10.54 1 4 0 48 344.451 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0783474A1; US5663209; WO1996010549A1 IBM Patent Data

Activity (Go SEA)

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