UCSF

ZINC17111945

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 20 Yes

Other Names:

MFCD03861192

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) 4.07 8.28 -11.07 1 3 0 46 282.73 2
Mid Mid (pH 6-8) 4.53 7.41 -45.9 0 3 -1 49 281.722 2

Activity (Go SEA)

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