UCSF

ZINC52860960

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 17 Yes

Popular Name: 1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylmethyl)piperazine 1-(5,6,7,8-tetrahydro-4H-cyclohe…

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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) 2.62 5.92 -38.12 2 2 1 20 251.419 2 ↓
Hi High (pH 8-9.5) 2.62 4.57 -2.88 1 2 0 15 250.411 2 ↓

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

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