UCSF

ZINC36773178

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 Yes

Popular Name: N,N'-bis(3-aminopropyl)-N-benzyl-butane-1,4-diamine N,N'-bis(3-aminopropyl)-N-benzyl…

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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) -0.13 3.49 -173.59 8 4 3 75 295.495 13 ↓
Hi High (pH 8-9.5) -0.13 3.11 -95.09 7 4 2 74 294.487 13 ↓
Hi High (pH 8-9.5) -0.13 4.87 -97.89 7 4 2 73 294.487 13 ↓
Hi High (pH 8-9.5) -0.13 3.9 -86.73 7 4 2 70 294.487 13 ↓
Mid Mid (pH 6-8) -0.13 2.15 -91.44 7 4 2 71 294.487 13 ↓
Mid Mid (pH 6-8) -0.13 5.25 -177.4 8 4 3 75 295.495 13 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-6-O Glutamate NMDA Receptor (cluster #6 Of 7), Other Other 2700 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 2700 0.37 Binding ≤ 10μM

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