UCSF

ZINC36170885

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) -0.12 4.09 -32.87 3 4 1 43 276.404 2
Hi High (pH 8-9.5) -0.12 2.77 -47.62 3 4 1 43 276.404 2
Hi High (pH 8-9.5) -0.12 1.86 -3.08 2 4 0 42 275.396 2
Mid Mid (pH 6-8) -0.12 4.02 -33.42 3 4 1 43 276.404 2

Activity (Go SEA)

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