UCSF

ZINC42779582

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 14 No

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) 2.37 7.29 -35.74 1 2 1 8 221.796 8
Hi High (pH 8-9.5) 2.37 4.62 -1.6 0 2 0 6 220.788 8
Mid Mid (pH 6-8) 2.37 6.41 -35.54 1 2 1 8 221.796 8
Mid Mid (pH 6-8) 2.37 8.71 -110.29 2 2 2 9 222.804 8

Activity (Go SEA)

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