UCSF

ZINC62036436

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 21 Yes

Popular Name: [1-[2-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]ethyl]triazol-4-yl]methanamine [1-[2-[4-(pyrrolidin-1-ylmethyl)…

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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) 0.51 6.15 -172.98 5 6 3 67 295.455 6 ↓
Hi High (pH 8-9.5) 0.51 3.91 -91.75 4 6 2 66 294.447 6 ↓
Hi High (pH 8-9.5) 0.51 5.75 -109.24 4 6 2 66 294.447 6 ↓

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

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