UCSF

ZINC39267545

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 33 Yes

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) 3.69 11.3 -17.83 4 8 0 105 444.539 6
Mid Mid (pH 6-8) 3.69 11.94 -32.07 5 8 1 107 445.547 6
Mid Mid (pH 6-8) 3.69 10.93 -30.97 5 8 1 107 445.547 6

Activity (Go SEA)

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