UCSF

ZINC65517631

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 22 Yes

Popular Name: N-[(5-methoxy-1,3-dimethyl-pyrazol-4-yl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine N-[(5-methoxy-1,3-dimethyl-pyraz…

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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) 1.01 4.59 -95.52 3 6 2 51 311.474 6 ↓
Hi High (pH 8-9.5) 1.01 2.86 -35.15 2 6 1 47 310.466 6 ↓
Hi High (pH 8-9.5) 1.01 2.23 -39.41 2 6 1 50 310.466 6 ↓
Hi High (pH 8-9.5) 1.01 0.49 -6.54 1 6 0 46 309.458 6 ↓

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Rings

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

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