UCSF

ZINC69991655

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 21 Yes

Popular Name: (2S)-2-methyl-3-[4-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]piperazin-1-yl]propan-1-amine (2S)-2-methyl-3-[4-[[1-[(1S)-1-m…

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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) 1.11 5.21 -103.67 4 5 2 53 295.475 7 ↓
Hi High (pH 8-9.5) 1.11 2.94 -6.01 2 5 0 50 293.459 7 ↓
Mid Mid (pH 6-8) 1.11 3.39 -45.28 3 5 1 52 294.467 7 ↓
Mid Mid (pH 6-8) 1.11 5.67 -86.86 4 5 2 53 295.475 7 ↓

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Rings

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

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