UCSF

ZINC28219405

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 21 Yes

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) 4.07 7.63 -4.78 2 2 0 29 280.415 2
Mid Mid (pH 6-8) 4.07 10.07 -40.53 3 2 1 30 281.423 2

Activity (Go SEA)

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