UCSF

ZINC05587299

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 17 Yes

Other Names:

MFCD01651677

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) 2.39 5.96 -8.03 0 3 0 46 222.247 0
Lo Low (pH 4.5-6) 2.39 6.22 -42.04 1 3 1 47 223.255 0

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

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