UCSF

ZINC61326953

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 20 Yes

Popular Name: (S)-4,5-dihydro-1H-thieno[3,2-e]benzimidazol-2-yl(phenyl)methanamine (S)-4,5-dihydro-1H-thieno[3,2-e]…

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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) 2.95 6.7 -30.75 4 3 1 56 282.392 2 ↓
Mid Mid (pH 6-8) 2.95 6.31 -7.27 3 3 0 55 281.384 2 ↓
Mid Mid (pH 6-8) 2.95 6.68 -52.22 4 3 1 56 282.392 2 ↓
Lo Low (pH 4.5-6) 2.95 7.03 -121.29 5 3 2 58 283.4 2 ↓

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Rings

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

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