UCSF

ZINC03650531

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 15 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) 2.46 3.45 -4.43 0 2 0 20 217.19 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6034117; WO1997022339A1 IBM Patent Data

Activity (Go SEA)

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