UCSF

ZINC69848326

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 22 Yes

Popular Name: 3-[(4-ethoxy-1-piperidyl)methyl]-2H-benzo[e][1,2,4]thiadiazine 3-[(4-ethoxy-1-piperidyl)methyl]…

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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) 0.86 3.11 -24.42 1 6 0 71 323.418 4 ↓
Hi High (pH 8-9.5) 0.86 2.72 -41.54 0 6 -1 73 322.41 4 ↓
Lo Low (pH 4.5-6) 0.86 4.85 -38.2 1 6 0 74 323.418 4 ↓
Lo Low (pH 4.5-6) 0.86 5.26 -62.83 2 6 1 72 324.426 4 ↓

Activity (Go SEA)

Rings

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

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