UCSF

ZINC17885766

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 18 Yes

Other Names:

MFCD03102713

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 7.53 -26.91 1 4 1 40 250.366 2
Mid Mid (pH 6-8) 2.39 7.05 -6.32 0 4 0 38 249.358 2

Vendor Notes

Note Type Comments Provided By
melting_point BP: (0.05 mm Hg) 155 KeyOrganics

Activity (Go SEA)

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