UCSF

ZINC36132082

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 Yes

Popular Name: 2-ethoxy-6-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]pyridin-3-amine 2-ethoxy-6-[(2S)-2-(3-pyridyl)py…

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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) 2.10 5 -8.7 2 5 0 64 284.363 4 ↓
Lo Low (pH 4.5-6) 2.10 5.44 -39.3 3 5 1 66 285.371 4 ↓

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

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