UCSF

ZINC00400151

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

Other Names:

MFCD00154671

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) -1.04 -2.55 -17.56 2 4 0 58 144.174 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4132702; US4333868 IBM Patent Data

Activity (Go SEA)

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

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