UCSF

ZINC40191303

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.77 9.71 -9.92 1 4 0 47 319.408 5
Mid Mid (pH 6-8) 3.77 10.2 -30.71 2 4 1 48 320.416 5

Activity (Go SEA)

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