UCSF

ZINC05442745

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 18 No

Popular Name: nil nil

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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) 2.65 9.07 -5.51 6 5 0 86 289.19 6 ↓
Ref Reference (pH 7) 2.52 8.57 -9.79 5 5 0 86 288.182 5 ↓
Ref Reference (pH 7) 2.52 8.11 -5.56 5 5 0 86 288.182 5 ↓
Hi High (pH 8-9.5) 2.53 8.65 -29.47 6 5 1 88 289.19 5 ↓
Hi High (pH 8-9.5) 2.53 8.29 -8.15 5 5 0 90 288.182 5 ↓
Mid Mid (pH 6-8) 2.65 9.13 -4.97 5 5 0 84 288.182 6 ↓
Mid Mid (pH 6-8) 2.65 7.94 -5.38 5 5 0 84 288.182 6 ↓
Lo Low (pH 4.5-6) 2.52 8.76 -34.91 6 5 1 88 289.19 5 ↓
Lo Low (pH 4.5-6) 2.52 8.45 -4.28 5 5 0 86 288.182 5 ↓
Lo Low (pH 4.5-6) 2.52 8.09 -27.78 6 5 0 88 289.19 5 ↓
Lo Low (pH 4.5-6) 2.52 8.77 -6.49 5 5 0 86 288.182 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-7-O Plasmodium Falciparum (cluster #7 Of 22), Other Other 9000 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 9000 0.39 Functional ≤ 10μM

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

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