UCSF

ZINC53344001

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 19 No

Popular Name: (3R)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(6,7-dihydro-4H-thieno…

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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) 0.91 2.33 -64.68 2 4 1 54 301.457 4 ↓
Mid Mid (pH 6-8) 0.91 3.32 -53.77 2 4 1 51 301.457 4 ↓
Mid Mid (pH 6-8) 0.91 1.14 -12.61 1 4 0 49 300.449 4 ↓
Mid Mid (pH 6-8) 0.91 4.49 -155.52 3 4 2 55 302.465 4 ↓

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Rings

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

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