UCSF

ZINC05377373

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 22 Yes

Other Names:

MFCD00665387

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) 2.56 -2.54 -52.75 0 5 -1 77 359.21 5

Vendor Notes

Note Type Comments Provided By
melting_point 181 - 184 KeyOrganics

Activity (Go SEA)

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