UCSF

ZINC34384991

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 28 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) 3.33 5.32 -14.15 3 7 0 100 371.352 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0397060A2; US5380746; US5516915 IBM Patent Data

Activity (Go SEA)

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