UCSF

ZINC37033954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.71 0.41 -52.67 5 6 1 103 300.404 5
Hi High (pH 8-9.5) 0.71 0.54 -48.79 3 6 -1 103 298.388 5
Hi High (pH 8-9.5) 0.71 0.47 -68.82 4 6 0 105 299.396 5

Activity (Go SEA)

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