UCSF

ZINC23093610

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 10 Yes

Popular Name: (3S)-3-isopropyl-1-methylpiperazine (3S)-3-isopropyl-1-methylpiperazine

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CAS Numbers: 1248907-64-3 , 80949-76-4

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) 1.10 1.88 -33.44 2 2 1 20 143.254 1 ↓
Hi High (pH 8-9.5) 1.10 0.89 -0.97 1 2 0 15 142.246 1 ↓
Mid Mid (pH 6-8) 1.10 4.4 -105.54 3 2 2 21 144.262 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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