UCSF

ZINC69492838

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 21 Yes

Popular Name: 3-[(3,3-dimethylmorpholin-4-yl)methyl]-2H-benzo[e][1,2,4]thiadiazine 3-[(3,3-dimethylmorpholin-4-yl)m…

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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) 1.50 1.67 -21.69 1 6 0 71 309.391 2 ↓
Mid Mid (pH 6-8) 1.50 1.27 -39.54 0 6 -1 73 308.383 2 ↓
Lo Low (pH 4.5-6) 1.50 3.28 -30.98 1 6 0 74 309.391 2 ↓

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

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