UCSF

ZINC37326495

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 No

Popular Name: 3-(1-methylbenzimidazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine 3-(1-methylbenzimidazol-2-yl)-5,…

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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) 2.73 7.66 -14.31 1 3 0 42 269.373 1 ↓
Mid Mid (pH 6-8) 3.47 7.31 -9.37 2 3 0 44 269.373 1 ↓
Lo Low (pH 4.5-6) 3.47 7.71 -22.56 3 3 1 45 270.381 1 ↓

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

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