UCSF

ZINC13281231

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 24 No

Popular Name: (4aR)-N-[(2-hydroxyphenyl)methyleneamino]-6-methyl-8-oxo-4a,7-dihydropyrido[3,2-e][1,4]thiazine-2-ca (4aR)-N-[(2-hydroxyphenyl)methyl…

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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) 1.60 1.57 -14.41 2 7 0 103 342.38 3 ↓
Hi High (pH 8-9.5) 1.60 2.35 -55.86 1 7 -1 106 341.372 3 ↓
Hi High (pH 8-9.5) 2.62 1.68 -45.61 2 7 -1 110 341.372 3 ↓
Hi High (pH 8-9.5) 1.60 2.35 -55.89 1 7 -1 106 341.372 3 ↓
Mid Mid (pH 6-8) 1.52 1.69 -50.18 3 7 1 105 343.388 3 ↓
Mid Mid (pH 6-8) 1.52 2.66 -46.8 3 7 1 105 343.388 3 ↓

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

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