UCSF

ZINC05541096

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 27 No

Other Names:

MFCD01314767

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) 5.79 12.61 -8.8 1 4 0 46 375.859 4
Ref Reference (pH 7) 5.79 12.5 -12.81 1 4 0 46 375.859 4

Vendor Notes

Note Type Comments Provided By
melting_point 169 - 171 KeyOrganics

Activity (Go SEA)

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