UCSF

ZINC59416535

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 27 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) 9.03 17.18 -5.35 0 1 0 17 404.685 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0144013A2; US4639328 IBM Patent Data

Activity (Go SEA)

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

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