UCSF

ZINC62975108

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (7S)-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-propyl-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) 2.92 8.92 -83.98 3 4 2 37 310.511 5 ↓
Hi High (pH 8-9.5) 2.92 5.17 -7 1 4 0 31 308.495 5 ↓
Mid Mid (pH 6-8) 2.92 6.51 -39.11 2 4 1 36 309.503 5 ↓
Lo Low (pH 4.5-6) 2.92 9.35 -163.18 4 4 3 38 311.519 5 ↓

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

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