UCSF

ZINC67755453

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 26 Yes

Popular Name: [(2S)-2-isopropyl-2,5-dihydropyrrol-1-yl]-[5-[[methyl(phenethyl)amino]methyl]isoxazol-3-yl]methanone [(2S)-2-isopropyl-2,5-dihydropyr…

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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) 3.44 11.7 -48.13 1 5 1 51 354.474 7 ↓
Mid Mid (pH 6-8) 3.44 9.35 -8.31 0 5 0 50 353.466 7 ↓

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

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