UCSF

ZINC20316810

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 16 No

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 2.43 -44.14 2 5 1 60 229.3 5
Hi High (pH 8-9.5) -0.66 0.33 -11.42 1 5 0 59 228.292 5

Activity (Go SEA)

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