UCSF

ZINC25357730

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 26 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) 3.47 9.74 -48.7 1 5 1 41 378.876 7
Hi High (pH 8-9.5) 3.47 7.5 -10.5 0 5 0 40 377.868 7

Activity (Go SEA)

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