UCSF

ZINC61365306

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 18 No

Popular Name: 2-sulfanyl-3-[(1S)-1-(3-thienyl)ethyl]thieno[2,3-d]pyrimidin-4-one 2-sulfanyl-3-[(1S)-1-(3-thienyl)…

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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) 2.34 7.56 -11.21 1 3 0 38 294.426 2 ↓
Hi High (pH 8-9.5) 2.80 6.53 -37.84 0 3 -1 41 293.418 2 ↓

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

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