UCSF

ZINC22937116

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 30 Yes

Popular Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(3-methyl-4-oxo-isoxazolo[5,4-d]pyrimidin-5-yl)acetami N-[4-[(4-ethylpiperazin-1-yl)met…

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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) 0.73 6.4 -50.32 2 9 1 98 411.486 6 ↓
Mid Mid (pH 6-8) 0.73 4.12 -22.72 1 9 0 97 410.478 6 ↓
Mid Mid (pH 6-8) 0.73 6.38 -54.15 2 9 1 98 411.486 6 ↓

Activity (Go SEA)

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