UCSF

ZINC67742157

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 Yes

Popular Name: 3-[5-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]-3-thienyl]prop-2-yn-1-ol 3-[5-[[4-(1,2-benzothiazol-3-yl)…

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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) 3.28 7 -11.42 1 4 0 40 369.515 3 ↓
Lo Low (pH 4.5-6) 3.28 9.23 -46.5 2 4 1 41 370.523 3 ↓

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Rings

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

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