UCSF

ZINC26569797

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 17 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) 1.88 -0.89 -15.49 3 4 0 78 230.219 2
Hi High (pH 8-9.5) 1.88 -0.09 -55.65 2 4 -1 81 229.211 2
Hi High (pH 8-9.5) 1.88 -0.1 -49.74 2 4 -1 81 229.211 2

Activity (Go SEA)

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