UCSF

ZINC69950702

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 19 Yes

Popular Name: (2S)-1-(2-ethoxyethyl)-2-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine (2S)-1-(2-ethoxyethyl)-2-methyl-…

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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) 0.07 6.58 -38.77 1 6 1 48 268.385 7 ↓
Mid Mid (pH 6-8) 0.07 4.35 -8.77 0 6 0 46 267.377 7 ↓
Mid Mid (pH 6-8) 0.07 6.59 -43.9 1 6 1 48 268.385 7 ↓

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Rings

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

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