UCSF

ZINC48949636

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 21 Yes

Popular Name: 4-[(isopropylamino)methyl]-N,2,5-trimethyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]pyrazol-3-amine 4-[(isopropylamino)methyl]-N,2,5…

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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) 1.87 7.77 -37.13 2 5 1 47 295.451 6 ↓
Hi High (pH 8-9.5) 1.87 6.52 -5.55 1 5 0 42 294.443 6 ↓
Hi High (pH 8-9.5) 1.87 6.67 -23.61 2 5 1 44 295.451 6 ↓
Mid Mid (pH 6-8) 1.87 7.9 -89.95 3 5 2 48 296.459 6 ↓

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Rings

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

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