UCSF

ZINC38199365

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2010 28 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) 2.72 7.74 -17.85 1 8 0 114 404.375 5
Mid Mid (pH 6-8) 2.72 8.8 -50.45 0 8 -1 117 403.367 5

Activity (Go SEA)

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