UCSF

ZINC13887817

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2008 22 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) 4.72 12.09 -35.38 1 2 1 14 300.466 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0334538A1; EP0334538B1; EP0407416A1; US5214156 IBM Patent Data

Activity (Go SEA)

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