UCSF

ZINC52288954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 1.22 3.93 -28.55 2 2 1 16 155.265 2
Hi High (pH 8-9.5) 1.22 2.84 -36.92 2 2 1 20 155.265 2
Hi High (pH 8-9.5) 1.22 1.63 -0.96 1 2 0 15 154.257 2

Activity (Go SEA)

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