UCSF

ZINC40892657

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 24 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) 4.38 10.5 -82.94 2 4 2 31 343.858 2
Hi High (pH 8-9.5) 4.38 7.77 -5.95 0 4 0 29 341.842 2
Mid Mid (pH 6-8) 4.38 8.16 -25.24 1 4 1 30 342.85 2
Mid Mid (pH 6-8) 4.38 10.1 -45.83 1 4 1 30 342.85 2

Activity (Go SEA)

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