UCSF

ZINC34226288

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 12 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) 2.43 2.38 -5.63 1 2 0 33 172.268 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0484063A2; EP0484063B1; US5213975 IBM Patent Data

Activity (Go SEA)

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