UCSF

ZINC52845771

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 24 Yes

Popular Name: 7-[[[(1S)-indan-1-yl]-prop-2-ynyl-amino]methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[[[(1S)-indan-1-yl]-prop-2-yny…

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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) 2.84 9.25 -34.57 1 4 1 39 336.44 4 ↓
Hi High (pH 8-9.5) 2.84 8.84 -11.7 0 4 0 38 335.432 4 ↓
Lo Low (pH 4.5-6) 2.84 10.96 -112.54 2 4 2 40 337.448 4 ↓

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

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