UCSF

ZINC40885416

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 16 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) 3.49 8.01 -4.71 0 2 0 16 238.762 3
Mid Mid (pH 6-8) 3.49 8.49 -28.18 1 2 1 17 239.77 3

Activity (Go SEA)

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