UCSF

ZINC13493522

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 25 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) 2.85 4.36 -15.85 2 6 0 92 372.462 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0771565A2; EP0927716A1; EP0928786A1; US6057290 IBM Patent Data

Activity (Go SEA)

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