UCSF

ZINC49356816

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 23 Yes

Popular Name: (2R)-4-[(1R)-cyclopent-2-en-1-yl]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-3-oxo-butane (2R)-4-[(1R)-cyclopent-2-en-1-yl…

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Download: MOL2 SDF SMILES Flexibase

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) 1.94 8.56 -18.54 1 5 0 87 327.409 4 ↓
Mid Mid (pH 6-8) 1.94 8.29 -28.89 1 5 0 87 327.409 4 ↓
Mid Mid (pH 6-8) 2.39 6.39 -56.29 0 5 -1 90 326.401 4 ↓

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

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