UCSF

ZINC12428594

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 33 No

Popular Name: (4R)-2-amino-1-(2-chloro-3-pyridyl)-4-[4-(morpholinomethyl)-2-thienyl]-5-oxo-4,6,7,8-tetrahydroquino (4R)-2-amino-1-(2-chloro-3-pyrid…

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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) 2.07 8.62 -21.51 2 7 0 95 482.009 4 ↓
Lo Low (pH 4.5-6) 2.07 10.74 -98.64 4 7 2 98 484.025 4 ↓

Activity (Go SEA)

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