UCSF

ZINC04062338

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 34 No

Other Names:

MFCD00752909

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) 5.55 1.15 -11.44 0 6 0 74 461.558 9
Mid Mid (pH 6-8) 5.73 0.05 -12.98 0 6 0 74 461.558 9
Mid Mid (pH 6-8) 5.55 0.96 -15.27 0 6 0 74 461.558 9

Activity (Go SEA)

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