UCSF

ZINC21533198

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 34 Yes

Popular Name: (3R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-(3-methylisoxazolo[4,5-e]pyrimidin-4-yl)piperidin (3R)-N-[4-[(4-ethylpiperazin-1-y…

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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) 2.22 7.96 -47.18 2 9 1 92 464.594 6 ↓
Mid Mid (pH 6-8) 2.22 7.97 -49.87 2 9 1 92 464.594 6 ↓
Mid Mid (pH 6-8) 2.22 5.65 -16.37 1 9 0 91 463.586 6 ↓

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

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