UCSF

ZINC66869824

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S)-2-[4-(5-chloro-2-pyridyl)piperazin-1-yl]-N-(3-cyanophenyl)propanamide (2S)-2-[4-(5-chloro-2-pyridyl)pi…

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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) 2.74 7.42 -16.16 1 6 0 72 369.856 4 ↓
Lo Low (pH 4.5-6) 2.74 9.62 -48.23 2 6 1 73 370.864 4 ↓

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

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