UCSF

ZINC22780724

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 30 Yes

Popular Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-[(1S)-1-methyl-3-phenyl-propyl]acetamide 2-[4-(1,3-benzothiazol-2-ylmethy…

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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) 4.06 10.28 -47.76 2 5 1 50 423.606 8 ↓
Hi High (pH 8-9.5) 4.06 8.05 -16.89 1 5 0 48 422.598 8 ↓
Lo Low (pH 4.5-6) 4.06 10.24 -40.51 2 5 1 50 423.606 8 ↓

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