UCSF

ZINC65520768

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 24 Yes

Popular Name: 4-[6-[(3,5-dimethylisoxazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine 4-[6-[(3,5-dimethylisoxazol-4-yl…

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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) 0.57 5.94 -40.52 1 7 1 69 330.412 3 ↓
Mid Mid (pH 6-8) 0.57 7.78 -54.76 1 7 1 69 330.412 3 ↓
Mid Mid (pH 6-8) 0.57 5.53 -11.06 0 7 0 68 329.404 3 ↓
Mid Mid (pH 6-8) 0.57 8.21 -119.05 2 7 2 70 331.42 3 ↓

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

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