UCSF

ZINC26491029

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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) 2.38 6.51 -13.89 1 5 0 54 323.396 4
Mid Mid (pH 6-8) 2.38 6.8 -32.09 2 5 1 56 324.404 4

Activity (Go SEA)

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