UCSF

ZINC26956313

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 30 No

Download: MOL2 SDF SMILES Flexibase

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) 2.37 4.48 -80.68 3 7 0 116 450.582 12
Mid Mid (pH 6-8) 2.82 1.85 -80.1 3 7 0 116 450.582 12

Activity (Go SEA)

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