UCSF

ZINC67739485

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 15 Yes

Popular Name: (3R)-N-[2-(1H-triazol-5-ylsulfanyl)ethyl]piperidin-3-amine (3R)-N-[2-(1H-triazol-5-ylsulfan…

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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) 0.12 0.35 -42.32 4 5 1 70 228.345 5 ↓
Lo Low (pH 4.5-6) 0.12 1.54 -117.46 5 5 2 75 229.353 5 ↓

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

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