UCSF

ZINC05626161

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 19 Yes

Other Names:

MFCD00244527

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) 1.78 1.59 -33.5 1 6 -1 87 323.126 2
Mid Mid (pH 6-8) 1.33 3.59 -11.06 2 6 0 84 324.134 2

Vendor Notes

Note Type Comments Provided By
melting_point 300 KeyOrganics

Activity (Go SEA)

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