UCSF

ZINC39557541

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 26 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) 4.76 8.31 -11.92 2 5 0 70 338.37 2
Mid Mid (pH 6-8) 4.76 8.69 -26.46 3 5 1 71 339.378 2

Activity (Go SEA)

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