UCSF

ZINC07778003

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2006 20 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) 2.53 -0.81 -56.5 1 5 -1 78 298.746 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5407956; US5451608 IBM Patent Data

Activity (Go SEA)

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