UCSF

ZINC54681012

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 21 Yes

Popular Name: N-[3-[1-(7H-purin-6-yl)pyrazol-4-yl]propyl]cyclopropanamine N-[3-[1-(7H-purin-6-yl)pyrazol-4…

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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) 0.87 8.56 -48.59 3 7 1 89 284.347 6 ↓
Hi High (pH 8-9.5) 0.87 8.06 -66.04 2 7 0 87 283.339 6 ↓

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

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