UCSF

ZINC70321098

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 18 Yes

Popular Name: 3-[(1S)-1-(ethylamino)-2-(4-pyridyl)ethyl]pyridin-2-amine 3-[(1S)-1-(ethylamino)-2-(4-pyri…

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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) 1.11 4.78 -45.36 4 4 1 68 243.334 5 ↓
Hi High (pH 8-9.5) 1.11 4.14 -6.13 3 4 0 64 242.326 5 ↓
Mid Mid (pH 6-8) 1.11 5.26 -101.4 5 4 2 70 244.342 5 ↓

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

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