UCSF

ZINC62943107

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 18 Yes

Popular Name: (9aR)-2-[[(2R,4S)-4-methoxypyrrolidin-2-yl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diaz (9aR)-2-[[(2R,4S)-4-methoxypyrro…

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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) 0.77 4.46 -89.34 3 4 2 34 255.406 3 ↓
Hi High (pH 8-9.5) 0.77 3.64 -34.46 2 4 1 29 254.398 3 ↓
Hi High (pH 8-9.5) 0.77 1.54 -2.77 1 4 0 28 253.39 3 ↓
Hi High (pH 8-9.5) 0.77 2.89 -35.78 2 4 1 32 254.398 3 ↓

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Rings

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

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