UCSF

ZINC04956045

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 22 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.23 6.53 -98.92 0 5 -2 89 313.696 2
Lo Low (pH 4.5-6) 3.23 5.79 -40.13 1 5 -1 86 314.704 2
Lo Low (pH 4.5-6) 3.23 6.42 -43.44 1 5 -1 86 314.704 2

Activity (Go SEA)

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