UCSF

ZINC71514757

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 29 Yes

Popular Name: 4-ethyl-6-[(2S)-2-[(6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl]-1,4-benzoxazin 4-ethyl-6-[(2S)-2-[(6-methyl-4-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) 4.05 6.56 -48.16 0 7 -1 95 428.515 5 ↓
Mid Mid (pH 6-8) 3.60 8.31 -16.4 1 7 0 92 429.523 5 ↓

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

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