UCSF

ZINC43247888

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 2.05 5.39 -38.07 3 3 1 44 290.456 6
Hi High (pH 8-9.5) 2.05 5.09 -3.62 2 3 0 42 289.448 6
Mid Mid (pH 6-8) 2.05 7.2 -38.77 3 3 1 43 290.456 6
Mid Mid (pH 6-8) 2.05 7.53 -119.28 4 3 2 45 291.464 6

Activity (Go SEA)

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