UCSF

ZINC25129030

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 24 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) 3.26 11.96 -40.77 1 4 1 39 320.416 5
Hi High (pH 8-9.5) 3.26 9.65 -11.66 0 4 0 38 319.408 5

Activity (Go SEA)

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