UCSF

ZINC40392385

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 34 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) 6.79 14.6 -38.3 0 4 -1 74 467.67 10
Mid Mid (pH 6-8) 6.05 16.68 -13.32 0 4 0 68 468.678 10

Activity (Go SEA)

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