UCSF

ZINC22691990

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 26 Yes

Popular Name: (3-isopropylisoxazolo[4,5-e]pyridin-5-yl)-[4-(2-thienylmethyl)piperazin-1-yl]methanone (3-isopropylisoxazolo[4,5-e]pyri…

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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) 2.25 5.25 -9.31 0 6 0 62 370.478 4 ↓
Mid Mid (pH 6-8) 2.25 7.59 -52.49 1 6 1 64 371.486 4 ↓

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

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