UCSF

ZINC39301009

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 30 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) 5.23 12.97 -15.54 2 6 0 70 470.415 7
Mid Mid (pH 6-8) 5.23 12.97 -32.52 3 6 1 71 471.423 7
Mid Mid (pH 6-8) 5.23 13.61 -32.17 3 6 1 71 471.423 7

Activity (Go SEA)

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