UCSF

ZINC34678984

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 38 Yes

Popular Name: 5-benzyl-N-isobutyl-4-oxo-N-[3-oxo-3-[2-(2-pyridyl)ethylamino]propyl]-7,8-dihydro-6H-pyrazolo[1,5-a] 5-benzyl-N-isobutyl-4-oxo-N-[3-o…

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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) 2.40 11.87 -21.92 1 9 0 100 516.646 11 ↓
Lo Low (pH 4.5-6) 2.40 12.19 -57.39 2 9 1 102 517.654 11 ↓

Activity (Go SEA)

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