UCSF

ZINC22465322

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 28 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) 2.72 2.41 -6.46 2 6 0 65 398.588 10
Mid Mid (pH 6-8) 2.72 4.8 -41.37 3 6 1 67 399.596 10
Mid Mid (pH 6-8) 2.72 4.76 -40.79 3 6 1 67 399.596 10

Activity (Go SEA)

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