UCSF

ZINC22682954

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 27 Yes

Popular Name: N-[(2S)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-3-isopropyl-isoxazolo[4,5-e]pyridine-5-carboxamide N-[(2S)-2-dimethylamino-2-(3-flu…

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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) 3.03 7.4 -54.69 2 6 1 72 371.436 6 ↓
Hi High (pH 8-9.5) 3.03 5.3 -14.06 1 6 0 71 370.428 6 ↓

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

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