UCSF

ZINC79614088

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2012 13 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) 1.71 2.5 -7.12 0 4 0 72 170.175 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0383449B1 IBM Patent Data

Activity (Go SEA)

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

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