UCSF

ZINC44691134

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 2.57 5.75 -38.79 2 4 1 44 333.246 8
Hi High (pH 8-9.5) 2.57 4.52 -6.12 1 4 0 40 332.238 8

Activity (Go SEA)

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