UCSF

ZINC60118771

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 18 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) 6.04 11.16 -1.42 0 1 0 9 250.426 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0451822B1 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.