UCSF

ZINC54429667

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 26 Yes

Popular Name: (2S)-3-(2-chloro-4-pyridyl)-3-oxo-2-(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl (2S)-3-(2-chloro-4-pyridyl)-3-ox…

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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) 2.66 8.03 -17.1 1 6 0 100 384.848 3 ↓
Mid Mid (pH 6-8) 3.12 5.86 -52.77 0 6 -1 103 383.84 3 ↓
Mid Mid (pH 6-8) 2.66 7.77 -26.51 1 6 0 100 384.848 3 ↓

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

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