UCSF

ZINC60247601

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 11 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) 4.50 7.61 0.13 0 0 0 0 154.297 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5369078; US5550098; US5607895 IBM Patent Data

Activity (Go SEA)

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