UCSF

ZINC42463804

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.24 4.37 -41.53 3 3 1 40 255.426 4
Hi High (pH 8-9.5) 2.24 6.05 -26.34 3 3 1 40 255.426 4

Activity (Go SEA)

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