UCSF

ZINC69978544

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 20 Yes

Popular Name: 5-[[methyl-[(1S)-1-(2-thienyl)ethyl]amino]methyl]-4H-pyrazolo[1,5-a]pyrimidin-7-one 5-[[methyl-[(1S)-1-(2-thienyl)et…

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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) 2.14 5.11 -18.38 1 5 0 53 288.376 4 ↓
Hi High (pH 8-9.5) 2.60 4.59 -45.86 0 5 -1 56 287.368 4 ↓
Lo Low (pH 4.5-6) 2.60 6.87 -51.56 1 5 0 58 288.376 4 ↓

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

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