UCSF

ZINC62964573

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 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) -0.48 -0.68 -32.47 3 4 1 37 227.376 3
Hi High (pH 8-9.5) -0.48 -2.38 -41.44 3 4 1 37 227.376 3
Mid Mid (pH 6-8) -0.48 2.61 -179.14 5 4 3 40 229.392 3
Mid Mid (pH 6-8) -0.48 0.01 -100.32 4 4 2 39 228.384 3

Activity (Go SEA)

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

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