UCSF

ZINC02581962

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 17 Yes

Other Names:

MFCD00127011

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) 0.97 3.01 -10.97 1 5 0 54 230.271 2
Lo Low (pH 4.5-6) 0.97 4.31 -30.1 2 5 1 55 231.279 2

Vendor Notes

Note Type Comments Provided By
melting_point 156 - 158 KeyOrganics

Activity (Go SEA)

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

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