UCSF

ZINC58329866

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 25 Yes

Popular Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-(pyrazolo[1,5-a]pyrimidin-6-ylmethylamino)propan-2-ol (2S)-1-(1,3-benzodioxol-5-yloxy)…

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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) 1.04 3.17 -69.87 3 8 1 95 343.363 7 ↓
Mid Mid (pH 6-8) 1.04 1.75 -17.77 2 8 0 90 342.355 7 ↓

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

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