UCSF

ZINC37717628

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 16 Yes

Popular Name: N2-[2-(3-pyridyl)ethyl]pyridine-2,5-diamine N2-[2-(3-pyridyl)ethyl]pyridine-…

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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) 1.12 3.07 -7.47 3 4 0 64 214.272 4 ↓
Mid Mid (pH 6-8) 1.12 3.53 -31.38 4 4 1 65 215.28 4 ↓
Lo Low (pH 4.5-6) 1.12 4 -77.24 5 4 2 66 216.288 4 ↓

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

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