UCSF

ZINC61326029

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1S)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine (1S)-1-(4,5-dihydrothieno[3,2-e]…

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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) 0.93 5.03 -41.64 3 2 1 41 251.4 2 ↓
Mid Mid (pH 6-8) 0.93 4.71 -6.16 2 2 0 39 250.392 2 ↓

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

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