UCSF

ZINC69766895

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 14 Yes

Popular Name: [1-[2-(3-thienyl)ethyl]pyrazol-4-yl]methanamine [1-[2-(3-thienyl)ethyl]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) 0.89 3.9 -46.69 3 3 1 45 208.31 4 ↓
Hi High (pH 8-9.5) 0.89 3.5 -5.56 2 3 0 44 207.302 4 ↓

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

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