UCSF

ZINC00382838

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 Yes

Popular Name: 4-amino-N-(1,3-benzoxazol-2-yl)benzenesulfonamide 4-amino-N-(1,3-benzoxazol-2-yl)b…

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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) 1.70 -0.89 -55.01 2 6 -1 100 288.308 3 ↓
Mid Mid (pH 6-8) 1.87 0.07 -18.44 3 6 0 101 289.316 2 ↓
Lo Low (pH 4.5-6) 1.87 -0.07 -62.16 4 6 1 103 290.324 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50459-3-O Leishmania Donovani (cluster #3 Of 8), Other Other 6400 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50459 Z50459 Leishmania Donovani 6400 0.36 Functional ≤ 10μM

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