UCSF

ZINC62321625

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) -0.06 4.46 -80.07 4 4 2 50 236.363 2
Hi High (pH 8-9.5) -0.06 3.99 -46.69 3 4 1 49 235.355 2
Lo Low (pH 4.5-6) -0.06 5.86 -102.17 4 4 2 50 236.363 2

Activity (Go SEA)

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

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