UCSF

ZINC34384622

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 25 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) 1.87 11.27 -10.33 0 5 0 61 344.317 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4970213; US4990515; US5004745; US5053509; US5442070; US5484921; US5556861 IBM Patent Data

Activity (Go SEA)

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