UCSF

ZINC37033942

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) 0.90 1.25 -47.65 4 6 1 92 298.388 4
Hi High (pH 8-9.5) 0.90 -0.05 -50.14 2 6 -1 89 296.372 4
Hi High (pH 8-9.5) 0.90 1.32 -64.94 3 6 0 94 297.38 4

Activity (Go SEA)

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