UCSF

ZINC39265464

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.58 10.77 -12.6 0 5 0 46 471.451 6
Mid Mid (pH 6-8) 4.58 12.98 -47.71 1 5 1 47 472.459 6

Activity (Go SEA)

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