UCSF

ZINC26515742

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 12 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) -1.49 2.15 -38.71 3 4 1 67 170.188 4
Hi High (pH 8-9.5) -1.49 1.8 -5.33 2 4 0 65 169.18 4

Activity (Go SEA)

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