UCSF

ZINC69951269

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 22 Yes

Popular Name: N-[(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine N-[(5-chloro-1-isobutyl-3-methyl…

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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) 2.26 5.28 -39.53 2 5 1 47 329.896 7 ↓
Hi High (pH 8-9.5) 2.26 3.85 -5.76 1 5 0 42 328.888 7 ↓
Lo Low (pH 4.5-6) 2.26 7.55 -102.77 3 5 2 48 330.904 7 ↓
Lo Low (pH 4.5-6) 2.26 6.54 -37.76 2 5 1 44 329.896 7 ↓

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Rings

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

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