UCSF

ZINC12857850

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 24 Yes

Other Names:

MFCD00665024

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.68 11.73 -25.56 1 3 1 27 319.428 2
Mid Mid (pH 6-8) 4.68 11.25 -7.02 0 3 0 25 318.42 2

Vendor Notes

Note Type Comments Provided By
melting_point 105 - 107 KeyOrganics

Activity (Go SEA)

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