UCSF

ZINC69979356

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 20 Yes

Popular Name: 1-(5-chloro-3-isopropyl-1-methyl-pyrazol-4-yl)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]methanamine 1-(5-chloro-3-isopropyl-1-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) 1.82 3.77 -39.52 2 5 1 47 301.842 5 ↓
Hi High (pH 8-9.5) 1.82 2.4 -5.14 1 5 0 42 300.834 5 ↓
Lo Low (pH 4.5-6) 1.82 6.19 -102.85 3 5 2 48 302.85 5 ↓
Lo Low (pH 4.5-6) 1.82 4.83 -38.38 2 5 1 44 301.842 5 ↓

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Rings

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

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