UCSF

ZINC52254517

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 18 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) 2.77 5.58 -6.68 1 3 0 47 282.645 5
Hi High (pH 8-9.5) 2.77 6.09 -39.61 0 3 -1 49 281.637 5

Activity (Go SEA)

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