UCSF

ZINC33968495

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 23 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) -3.58 7.84 -139.97 0 8 -2 121 324.333 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6103910 IBM Patent Data

Activity (Go SEA)

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