UCSF

ZINC52538790

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 33 Yes

Popular Name: 4-[4-(5-methyl-1H-benzimidazol-2-yl)-1-piperidyl]butylBLAHone 4-[4-(5-methyl-1H-benzimidazol-2…

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Download: MOL2 SDF SMILES Flexibase

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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) 4.85 13.12 -51.35 3 5 1 62 443.615 6 ↓
Lo Low (pH 4.5-6) 4.85 13.57 -99.75 4 5 2 63 444.623 6 ↓

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

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