UCSF

ZINC62975104

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 19 Yes

Popular Name: (7S)-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-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) 2.04 7.31 -84.24 3 4 2 37 282.457 3 ↓
Hi High (pH 8-9.5) 2.04 3.49 -7.29 1 4 0 31 280.441 3 ↓
Mid Mid (pH 6-8) 2.04 4.9 -39.96 2 4 1 36 281.449 3 ↓
Lo Low (pH 4.5-6) 2.04 7.74 -161.34 4 4 3 38 283.465 3 ↓

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Rings

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

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