UCSF

ZINC23361037

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 27 Yes

Popular Name: 5-chloro-2-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1H-benzimidazole 5-chloro-2-[4-[3-(4-methylpipera…

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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) 4.45 9.34 -40.94 2 5 1 46 385.919 6 ↓
Hi High (pH 8-9.5) 4.45 6.96 -9.09 1 5 0 44 384.911 6 ↓
Lo Low (pH 4.5-6) 4.45 9.76 -71.84 3 5 2 47 386.927 6 ↓

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Rings

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

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