UCSF

ZINC39248343

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 17 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) 4.25 10.45 -36.08 1 1 1 4 252.809 5
Hi High (pH 8-9.5) 4.25 8.38 -1.68 0 1 0 3 251.801 5

Activity (Go SEA)

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