UCSF

ZINC55054110

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 21 Yes

Popular Name: (3R)-1-(2-amino-2-oxo-ethyl)-N-[2-(1H-triazol-5-ylsulfanyl)ethyl]piperidine-3-carboxamide (3R)-1-(2-amino-2-oxo-ethyl)-N-[…

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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) -0.85 -0.15 -43.06 5 8 1 118 313.407 7 ↓
Hi High (pH 8-9.5) -0.85 -2.35 -43.49 3 8 -1 115 311.391 7 ↓
Mid Mid (pH 6-8) -0.85 -2.34 -13.77 4 8 0 117 312.399 7 ↓

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

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