UCSF

ZINC62975117

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 20 Yes

Popular Name: (7R)-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(3S)-3-(dimethylamino)py…

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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) 0.68 6.44 -90.26 4 4 2 48 296.484 2 ↓
Hi High (pH 8-9.5) 0.68 3.71 -6.54 2 4 0 45 294.468 2 ↓
Mid Mid (pH 6-8) 0.68 4.03 -46.34 3 4 1 47 295.476 2 ↓
Lo Low (pH 4.5-6) 0.68 6.87 -169.88 5 4 3 49 297.492 2 ↓

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Rings

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

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