UCSF

ZINC67431974

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 24 Yes

Popular Name: (2S,4R)-4-amino-1-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-N,N-diethyl-pyrrolidine-2-carbox (2S,4R)-4-amino-1-(2,3-dihydroth…

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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) 0.19 3.26 -74.94 3 7 1 87 354.452 4 ↓
Hi High (pH 8-9.5) 0.19 2.97 -21.22 2 7 0 85 353.444 4 ↓

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

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