UCSF

ZINC21531473

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 27 Yes

Popular Name: N-(2-dimethylaminoethyl)-3-[3-(4-fluorophenyl)-4-oxo-isoxazolo[5,4-d]pyrimidin-5-yl]propanamide N-(2-dimethylaminoethyl)-3-[3-(4…

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Download: MOL2 SDF SMILES Flexibase

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) 0.88 6.7 -55.1 2 8 1 94 374.396 7 ↓
Hi High (pH 8-9.5) 0.88 4.16 -18.59 1 8 0 93 373.388 7 ↓

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

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