UCSF

ZINC20792158

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 36 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) -5.87 1.52 -186.81 3 10 3 73 513.748 8
Mid Mid (pH 6-8) -5.87 -0.87 -116.52 2 10 2 72 512.74 8
Mid Mid (pH 6-8) -5.87 3.81 -250.23 4 10 4 74 514.756 8

Activity (Go SEA)

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