UCSF

ZINC34423197

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 20 No

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) 0.39 2.65 -23.91 0 8 0 99 307.324 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0411664A2; EP0411664B1; US5095013 IBM Patent Data

Activity (Go SEA)

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