UCSF

ZINC36365705

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 30 Yes

Popular Name: (4S)-3-methyl-4-(6-methyl-4-oxo-chromen-3-yl)-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[3, (4S)-3-methyl-4-(6-methyl-4-oxo-…

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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) 2.36 2.4 -64 1 9 -1 129 402.39 2 ↓
Ref Reference (pH 7) 2.18 5.14 -58.46 1 9 -1 126 402.39 2 ↓
Lo Low (pH 4.5-6) 1.91 4.27 -20.77 2 9 0 126 403.398 2 ↓
Lo Low (pH 4.5-6) 1.72 6.95 -19.51 2 9 0 123 403.398 2 ↓

Activity (Go SEA)

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