UCSF

ZINC54796936

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 15 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) -0.43 2.62 -39.33 3 5 1 64 212.273 4
Hi High (pH 8-9.5) -0.43 1.2 -10.34 2 5 0 59 211.265 4
Mid Mid (pH 6-8) -0.43 3.06 -103.28 4 5 2 65 213.281 4
Mid Mid (pH 6-8) -0.43 1.65 -33.95 3 5 1 60 212.273 4

Activity (Go SEA)

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

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