UCSF

ZINC40447605

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 21 Yes

Popular Name: (2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-(4-methylpiperazin-1-yl)butan-1-amine (2R)-N-[(3,5-dimethyl-1H-pyrazol…

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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) 1.28 5.48 -100.35 4 5 2 53 295.475 6 ↓
Hi High (pH 8-9.5) 1.28 3.08 -43.19 3 5 1 52 294.467 6 ↓
Hi High (pH 8-9.5) 1.28 1.71 -4.84 2 5 0 47 293.459 6 ↓
Mid Mid (pH 6-8) 1.28 4.49 -34.04 3 5 1 48 294.467 6 ↓
Mid Mid (pH 6-8) 1.28 5.47 -116.18 4 5 2 53 295.475 6 ↓

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

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