UCSF

ZINC45664300

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) -0.32 3.11 -90.94 4 5 2 56 260.426 10
Hi High (pH 8-9.5) -0.32 1.11 -45.88 3 5 1 54 259.418 10
Mid Mid (pH 6-8) -0.32 3.58 -84.78 4 5 2 56 260.426 10
Lo Low (pH 4.5-6) -0.32 5.58 -169.87 5 5 3 57 261.434 10

Activity (Go SEA)

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