UCSF

ZINC54907473

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 21 No

Popular Name: (7R)-N-ethyl-5,5-dimethyl-2-(1-oxo-1,4-thiazinan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-N-ethyl-5,5-dimethyl-2-(1-o…

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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) 2.02 5.87 -50.44 2 4 1 50 328.527 3 ↓
Hi High (pH 8-9.5) 2.02 4.53 -15.91 1 4 0 45 327.519 3 ↓
Mid Mid (pH 6-8) 2.02 6.26 -103.14 3 4 2 51 329.535 3 ↓

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

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