UCSF

ZINC66869325

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 26 Yes

Popular Name: 2-[[(2S)-2-[4-(5-chloro-2-pyridyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide 2-[[(2S)-2-[4-(5-chloro-2-pyridy…

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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) 1.54 3.05 -11.87 3 7 0 92 393.9 5 ↓
Lo Low (pH 4.5-6) 1.54 5.25 -41.81 4 7 1 93 394.908 5 ↓
Lo Low (pH 4.5-6) 1.54 3.41 -35.76 4 7 1 93 394.908 5 ↓

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

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