UCSF

ZINC40193021

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 38 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 7.38 16.38 -12.6 1 5 0 56 524.064 9
Mid Mid (pH 6-8) 7.38 16.94 -40.29 2 5 1 57 525.072 9

Activity (Go SEA)

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