UCSF

ZINC67975246

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 25 Yes

Popular Name: (2S,4S)-4-amino-N,N-diethyl-1-(3-methyltriazolo[4,5-b]pyridine-6-carbonyl)pyrrolidine-2-carboxamide (2S,4S)-4-amino-N,N-diethyl-1-(3…

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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) -1.51 2.46 -75.7 3 9 1 112 346.415 4 ↓
Hi High (pH 8-9.5) -1.51 2.18 -17.59 2 9 0 110 345.407 4 ↓

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Rings

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

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