UCSF

ZINC13683361

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 27 Yes

Popular Name: N-[6-[4-(2-pyridyl)piperazine-1-carbonyl]-1,3-benzothiazol-2-yl]acetamide N-[6-[4-(2-pyridyl)piperazine-1-…

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Download: MOL2 SDF SMILES Flexibase

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) 2.27 5.86 -53.91 3 7 0 86 383.477 2 ↓
Ref Reference (pH 7) 1.35 8.25 -48.64 2 7 1 80 382.469 3 ↓
Mid Mid (pH 6-8) 2.27 6.98 -14.31 1 7 0 82 381.461 2 ↓
Mid Mid (pH 6-8) 2.27 5.53 -12.09 2 7 0 85 382.469 2 ↓
Mid Mid (pH 6-8) 2.27 7.31 -43.62 2 7 1 83 382.469 2 ↓
Mid Mid (pH 6-8) 1.35 7.92 -20.26 1 7 0 78 381.461 3 ↓

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

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