UCSF

ZINC36619043

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 31 Yes

Popular Name: [3-methyl-6-(1-methylpyrazol-4-yl)isoxazolo[5,4-b]pyridin-4-yl]-[4-(2-pyridylmethyl)piperazin-1-yl]m [3-methyl-6-(1-methylpyrazol-4-y…

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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) 0.33 4.51 -15.7 0 9 0 93 417.473 4 ↓
Mid Mid (pH 6-8) 0.33 6.73 -57.2 1 9 1 94 418.481 4 ↓
Mid Mid (pH 6-8) 0.33 4.51 -46.74 1 9 1 94 418.481 4 ↓
Lo Low (pH 4.5-6) 0.33 6.72 -133.03 2 9 2 96 419.489 4 ↓

Activity (Go SEA)

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