UCSF

ZINC78648499

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2012 11 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) -1.13 -1.65 -10.07 3 3 0 63 169.205 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0037710A1; US4385059 IBM Patent Data

Activity (Go SEA)

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

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