UCSF

ZINC62320091

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 19 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) -2.38 7.17 -69.04 3 6 1 79 265.337 5
Hi High (pH 8-9.5) -2.38 5.33 -30.47 2 6 0 78 264.329 5
Hi High (pH 8-9.5) -2.38 5.6 -48.87 2 6 0 74 264.329 5
Mid Mid (pH 6-8) -2.38 5.79 -58.64 3 6 1 79 265.337 5

Activity (Go SEA)

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

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