UCSF

ZINC72115179

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2012 31 Yes

Other Names:

MFCD00242700

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) 7.35 16.97 -39.69 1 2 1 8 434.047 8
Mid Mid (pH 6-8) 7.35 14.71 -2.85 0 2 0 6 433.039 8

Vendor Notes

Note Type Comments Provided By
Indications antihistamine KeyOrganics Bioactives

Activity (Go SEA)

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

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