UCSF

ZINC25449539

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 32 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) 5.00 8.56 -57.05 1 7 -1 103 487.945 6
Mid Mid (pH 6-8) 5.00 8.49 -28 2 7 0 101 488.953 6
Mid Mid (pH 6-8) 5.07 7.66 -100.07 0 7 -2 109 486.937 6
Mid Mid (pH 6-8) 5.07 7.59 -52.74 1 7 -1 107 487.945 6

Activity (Go SEA)

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