UCSF

ZINC26897825

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 34 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) 3.04 8.02 -93.78 6 6 2 92 472.67 16
Hi High (pH 8-9.5) 3.04 6.58 -47.75 5 6 1 88 471.662 16

Activity (Go SEA)

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