UCSF

ZINC41537166

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 2.56 4.55 -8.22 1 4 0 42 341.249 5
Mid Mid (pH 6-8) 2.56 6.58 -45.11 2 4 1 43 342.257 5

Activity (Go SEA)

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