UCSF

ZINC41629980

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 23 Yes

Popular Name: 6-[(2S)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one 6-[(2S)-2-[(6-oxo-1H-pyrimidin-2…

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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) 1.47 3.57 -17.2 2 7 0 101 331.353 4 ↓
Hi High (pH 8-9.5) 1.93 1.81 -45.37 1 7 -1 104 330.345 4 ↓
Mid Mid (pH 6-8) 1.47 3.24 -22.28 2 7 0 101 331.353 4 ↓

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

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