UCSF

ZINC26546008

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 11 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) 0.81 3.67 -39.54 2 3 1 34 154.237 3
Hi High (pH 8-9.5) 0.81 2.32 -5.68 1 3 0 30 153.229 3

Activity (Go SEA)

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