UCSF

ZINC69845612

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 Yes

Popular Name: 3-[(1R)-1-amino-2-(4-pyridyl)ethyl]pyridin-2-amine 3-[(1R)-1-amino-2-(4-pyridyl)eth…

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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) -1.52 2.38 -52.27 5 4 1 79 215.28 3 ↓
Mid Mid (pH 6-8) -1.52 2.08 -7.31 4 4 0 78 214.272 3 ↓
Mid Mid (pH 6-8) -1.52 2.85 -111.26 6 4 2 81 216.288 3 ↓

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

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