UCSF

ZINC70118056

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 18 Yes

Popular Name: 2-[1-[2-[(2S)-1-methyl-2-piperidyl]ethyl]triazol-4-yl]propan-2-amine 2-[1-[2-[(2S)-1-methyl-2-piperid…

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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) 1.48 4.68 -99.85 4 5 2 63 253.394 4 ↓
Hi High (pH 8-9.5) 1.48 4.44 -41.58 3 5 1 61 252.386 4 ↓

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

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