UCSF

ZINC35133143

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 10 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) 0.05 0.85 -9.08 1 4 0 49 142.158 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0010735A1; EP0014402A1; US4248870; US4256746; US4294757; US4307016; US4361650 IBM Patent Data

Activity (Go SEA)

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