UCSF

ZINC43476874

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 2.94 5.03 -35.75 3 3 1 37 271.812 8
Hi High (pH 8-9.5) 2.94 5.79 -61.39 2 3 0 40 270.804 8
Hi High (pH 8-9.5) 2.94 5 -61.16 2 3 0 43 270.804 8
Mid Mid (pH 6-8) 2.94 4.23 -46.89 3 3 1 40 271.812 8

Activity (Go SEA)

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