UCSF

ZINC37718551

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 18 No

Popular Name: 6-[2-(3-pyridyl)ethylamino]pyridine-3-carbothioamide 6-[2-(3-pyridyl)ethylamino]pyrid…

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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) 1.27 4.39 -15.61 3 4 0 64 258.35 5 ↓
Lo Low (pH 4.5-6) 1.27 4.87 -52.07 4 4 1 65 259.358 5 ↓
Lo Low (pH 4.5-6) 1.27 5.34 -99.98 5 4 2 66 260.366 5 ↓
Lo Low (pH 4.5-6) 1.27 4.86 -46.88 4 4 1 65 259.358 5 ↓

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Rings

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

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