UCSF

ZINC37818312

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) -1.08 -0.71 -50.67 5 7 1 106 295.363 1
Hi High (pH 8-9.5) -0.90 -3.37 -73.98 4 7 0 112 294.355 1

Activity (Go SEA)

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