UCSF

ZINC37718552

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-[2-(3-pyridyl)ethylamino]pyridine-4-carbothioamide 2-[2-(3-pyridyl)ethylamino]pyrid…

Find On: PubMed — Wikipedia — Google

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) 1.21 4.4 -15.94 3 4 0 64 258.35 5 ↓
Mid Mid (pH 6-8) 1.21 4.88 -49.96 4 4 1 65 259.358 5 ↓
Lo Low (pH 4.5-6) 1.21 5.35 -91.09 5 4 2 66 260.366 5 ↓

Activity (Go SEA)

Rings

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

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