UCSF

ZINC67724870

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 21 Yes

Popular Name: 2,5-dihydropyrrol-1-yl-[5-[(4-ethylpiperazin-1-yl)methyl]isoxazol-3-yl]methanone 2,5-dihydropyrrol-1-yl-[5-[(4-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) 0.79 5.08 -39.79 1 6 1 54 291.375 4 ↓
Hi High (pH 8-9.5) 0.79 2.81 -7.65 0 6 0 53 290.367 4 ↓

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

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