UCSF

ZINC37001717

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) -0.66 5.55 -90.92 5 4 2 61 275.396 4
Hi High (pH 8-9.5) -0.66 5.18 -38.58 4 4 1 60 274.388 4

Activity (Go SEA)

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