UCSF

ZINC29134397

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 41 No

Popular Name: 2-[[6-[[2-(3-hydroxypropyl)-5-methyl-anilino]methyl]-2-(3-morpholinopropylamino)benzimidazol-1-yl]me 2-[[6-[[2-(3-hydroxypropyl)-5-me…

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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) 4.09 10.2 -50.75 5 9 1 113 559.735 13 ↓
Hi High (pH 8-9.5) 4.09 9.25 -48.32 3 9 -1 111 557.719 13 ↓
Hi High (pH 8-9.5) 4.09 8.46 -17.79 4 9 0 108 558.727 13 ↓
Hi High (pH 8-9.5) 4.09 9.84 -35.84 4 9 0 112 558.727 13 ↓
Mid Mid (pH 6-8) 4.09 11.68 -100.04 6 9 2 110 560.743 13 ↓
Mid Mid (pH 6-8) 4.09 12 -94.54 5 9 1 113 559.735 13 ↓
Mid Mid (pH 6-8) 4.09 9.41 -35.59 5 9 1 109 559.735 13 ↓
Mid Mid (pH 6-8) 4.09 12.48 -123.31 6 9 2 114 560.743 13 ↓
Lo Low (pH 4.5-6) 4.09 11.81 -194.41 7 9 3 111 561.751 13 ↓
Lo Low (pH 4.5-6) 4.09 9.65 -98.52 6 9 2 110 560.743 13 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50678-1-O Respiratory Syncytial Virus (cluster #1 Of 2), Other Other 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50678 Z50678 Respiratory Syncytial Virus 0.1 0.34 Functional ≤ 10μM

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