UCSF

ZINC37020204

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) 1.81 6.63 -37.37 3 4 0 77 291.734 5
Hi High (pH 8-9.5) 1.81 5.68 -44.67 2 4 -1 72 290.726 5

Activity (Go SEA)

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