UCSF

ZINC37840948

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.48 -0.87 -23.46 1 7 0 104 330.387 4
Hi High (pH 8-9.5) -0.02 -2.82 -57.25 0 7 -1 107 329.379 4

Activity (Go SEA)

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