UCSF

ZINC52538731

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-fluoro-1H-benzimidazol-2-yl)piperazin-1-yl]butylBLAHone 4-[4-(5-fluoro-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) 4.37 13.76 -52.18 3 6 1 65 448.566 6 ↓
Mid Mid (pH 6-8) 4.37 11.56 -13.82 2 6 0 64 447.558 6 ↓
Lo Low (pH 4.5-6) 4.37 14.15 -105.42 4 6 2 67 449.574 6 ↓

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

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