UCSF

ZINC36170884

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 3.51 -33.96 3 4 1 43 276.404 2
Hi High (pH 8-9.5) -0.12 1.81 -44.46 3 4 1 43 276.404 2
Hi High (pH 8-9.5) -0.12 1.3 -3.35 2 4 0 42 275.396 2
Mid Mid (pH 6-8) -0.12 4.32 -34.27 3 4 1 43 276.404 2

Activity (Go SEA)

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