UCSF

ZINC05742784

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 32 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) 0.40 -10.62 -15.22 5 10 0 155 448.424 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0719554A1; EP0742012A2; US4544627; US5650433 IBM Patent Data

Activity (Go SEA)

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