UCSF

ZINC57389465

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 21 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) 3.23 6.72 -6.47 1 6 0 78 311.769 4
Mid Mid (pH 6-8) 3.04 8.34 -26.94 1 6 0 86 311.769 4

Activity (Go SEA)

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