UCSF

ZINC61326958

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 21 Yes

Popular Name: (1S)-2-(4,5-dihydro-1H-thieno[3,2-e]benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-2-(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) 1.28 7.72 -119.67 5 3 2 58 297.427 3 ↓
Hi High (pH 8-9.5) 1.28 6.83 -7.34 3 3 0 55 295.411 3 ↓
Hi High (pH 8-9.5) 1.28 7.36 -33.01 4 3 1 56 296.419 3 ↓
Mid Mid (pH 6-8) 1.28 7.14 -45.01 4 3 1 56 296.419 3 ↓

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Rings

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

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