UCSF

ZINC65498058

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 22 Yes

Popular Name: (1-ethyl-5-methyl-pyrazol-4-yl)-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-1-yl]methanone (1-ethyl-5-methyl-pyrazol-4-yl)-…

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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) 0.14 4.18 -10.11 0 6 0 51 306.41 4 ↓
Lo Low (pH 4.5-6) 0.14 6.49 -41.92 1 6 1 52 307.418 4 ↓

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

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