UCSF

ZINC62975105

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]-N-ethyl-4,5,6,7-tetrahydro-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) 2.42 8.16 -83.17 3 4 2 37 296.484 4 ↓
Hi High (pH 8-9.5) 2.42 4.41 -5.52 1 4 0 31 294.468 4 ↓
Mid Mid (pH 6-8) 2.42 5.75 -38.58 2 4 1 36 295.476 4 ↓
Lo Low (pH 4.5-6) 2.42 8.59 -160.93 4 4 3 38 297.492 4 ↓

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Rings

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

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