UCSF

ZINC43312449

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 22 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) 2.32 5.79 -48.44 3 6 1 66 313.466 7
Mid Mid (pH 6-8) 2.32 3.56 -11.43 2 6 0 65 312.458 7

Activity (Go SEA)

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