UCSF

ZINC25490813

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 24 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) 4.33 11.8 -20.25 1 3 0 46 315.372 5
Hi High (pH 8-9.5) 5.06 11.91 -54.5 1 3 -1 52 314.364 4

Activity (Go SEA)

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