UCSF

ZINC33834723

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 12 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) 0.75 2.42 -4.47 0 3 0 31 167.208 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0164059A2; US5006443; US5104961; US5157018 IBM Patent Data

Activity (Go SEA)

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