UCSF

ZINC34620009

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 15 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) 0.40 3.33 -13.61 0 6 0 65 217.221 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5610144 IBM Patent Data

Activity (Go SEA)

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