UCSF

ZINC43417480

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) -0.22 4.1 -92.82 4 5 2 56 272.437 7
Hi High (pH 8-9.5) -0.22 2.93 -38.66 3 5 1 54 271.429 7
Mid Mid (pH 6-8) -0.22 1.85 -44.28 3 5 1 54 271.429 7
Mid Mid (pH 6-8) -0.22 5.67 -176.44 5 5 3 57 273.445 7

Activity (Go SEA)

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