UCSF

ZINC61326886

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 16 Yes

Popular Name: (1R)-1-(4,5-dihydro-1H-thieno[3,2-e]benzimidazol-2-yl)propan-1-amine (1R)-1-(4,5-dihydro-1H-thieno[3,…

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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) 0.36 4.19 -43.82 4 3 1 56 234.348 2 ↓
Hi High (pH 8-9.5) 0.36 3.86 -6.71 3 3 0 55 233.34 2 ↓
Hi High (pH 8-9.5) 0.36 3.86 -9.2 3 3 0 55 233.34 2 ↓
Mid Mid (pH 6-8) 0.36 4.48 -28.65 4 3 1 56 234.348 2 ↓
Mid Mid (pH 6-8) 0.36 4.18 -45.73 4 3 1 56 234.348 2 ↓
Mid Mid (pH 6-8) 0.36 4.78 -112.36 5 3 2 58 235.356 2 ↓

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

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