UCSF

ZINC28824925

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 16 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) -0.49 4.67 -43.92 3 3 1 48 217.292 2
Mid Mid (pH 6-8) -0.49 4.32 -7.83 2 3 0 46 216.284 2

Activity (Go SEA)

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