UCSF

ZINC04062344

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 1.13 -11.51 0 6 0 74 461.558 9
Mid Mid (pH 6-8) 5.73 0.03 -12.67 0 6 0 74 461.558 9
Mid Mid (pH 6-8) 5.55 0.95 -15.45 0 6 0 74 461.558 9

Activity (Go SEA)

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