UCSF

ZINC36880521

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 2.32 4.19 -51.32 4 4 1 66 249.334 3
Hi High (pH 8-9.5) 2.32 5.2 -84.62 3 4 0 69 248.326 3

Activity (Go SEA)

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