UCSF

ZINC62949048

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 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) 1.86 5.51 -89.97 3 3 2 24 241.423 3
Hi High (pH 8-9.5) 1.86 2.3 -0.73 1 3 0 19 239.407 3
Hi High (pH 8-9.5) 1.86 3.56 -35.65 2 3 1 23 240.415 3
Hi High (pH 8-9.5) 1.86 4.25 -32 2 3 1 20 240.415 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.