UCSF

ZINC42434828

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 14 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.43 0.41 -38.68 3 4 1 57 217.314 2
Mid Mid (pH 6-8) -0.43 -0.65 -9.9 2 4 0 53 216.306 2

Activity (Go SEA)

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