UCSF

ZINC70321095

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 17 Yes

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

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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) 0.73 4.05 -46 4 4 1 68 229.307 4 ↓
Hi High (pH 8-9.5) 0.73 3.01 -6.94 3 4 0 64 228.299 4 ↓
Mid Mid (pH 6-8) 0.73 4.53 -104.94 5 4 2 70 230.315 4 ↓

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

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