UCSF

ZINC43218641

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 32 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) -0.51 6.4 -45.47 3 11 0 169 441.396 5
Mid Mid (pH 6-8) -0.51 5.49 -50.82 2 11 -1 165 440.388 5

Activity (Go SEA)

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