UCSF

ZINC39236981

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 14 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) 2.76 6.37 -14.3 1 2 0 29 222.7 1
Mid Mid (pH 6-8) 3.49 6.26 -44.67 0 2 -1 26 221.692 1

Activity (Go SEA)

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