UCSF

ZINC71589420

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 20 Yes

Popular Name: (2S)-4-(2,3-dihydrothieno[3,4-b][1,4]dioxine-7-carbonyl)piperazine-2-carboxylic (2S)-4-(2,3-dihydrothieno[3,4-b]…

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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) -1.47 2.53 -47.52 2 7 0 96 298.32 2 ↓
Hi High (pH 8-9.5) -1.47 1.25 -56.55 1 7 -1 91 297.312 2 ↓

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Rings

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

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