UCSF

ZINC69920059

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 21 Yes

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

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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) 2.19 4.57 -40.53 2 5 1 47 315.869 6 ↓
Hi High (pH 8-9.5) 2.19 3.13 -5.85 1 5 0 42 314.861 6 ↓
Lo Low (pH 4.5-6) 2.19 5.42 -38.65 2 5 1 44 315.869 6 ↓
Lo Low (pH 4.5-6) 2.19 6.85 -104.67 3 5 2 48 316.877 6 ↓

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Rings

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

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