UCSF

ZINC37022869

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 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) 2.68 8.31 -39.21 1 4 1 50 229.687 4
Hi High (pH 8-9.5) 2.68 5.98 -4.12 0 4 0 49 228.679 4

Activity (Go SEA)

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