UCSF

ZINC34074155

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 31 Yes

Popular Name: N'-[3-(2-chlorophenothiazin-10-yl)propyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethyl-propane-1,3-diam N'-[3-(2-chlorophenothiazin-10-y…

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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) 5.63 14.85 -90.14 2 4 2 17 463.135 12 ↓
Mid Mid (pH 6-8) 5.63 14.48 -120.11 2 4 2 17 463.135 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50426-1-O Plasmodium Falciparum (isolate K1 / Thailand) (cluster #1 Of 9), Other Other 420 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50426 Z50426 Plasmodium Falciparum (isolate K1 / Thailand) 420 0.29 Functional ≤ 10μM

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