UCSF

ZINC13409394

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 29 No

Popular Name: 4-hydroxy-1-methyl-3-[(4E)-5-oxo-4-(2-oxoindolin-3-ylidene)-1H-pyrazol-3-yl]quinolin-2-one 4-hydroxy-1-methyl-3-[(4E)-5-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) 1.57 4.2 -56.94 2 8 -1 124 385.359 1 ↓
Mid Mid (pH 6-8) 2.02 2.93 -152.25 1 8 -2 127 384.351 1 ↓
Mid Mid (pH 6-8) 2.02 2.23 -147.65 1 8 -2 127 384.351 1 ↓
Mid Mid (pH 6-8) 2.02 1.97 -126.91 1 8 -2 127 384.351 1 ↓
Mid Mid (pH 6-8) 2.48 0.58 -244.43 0 8 -3 130 383.343 1 ↓
Mid Mid (pH 6-8) 2.48 1.28 -252.59 0 8 -3 130 383.343 1 ↓
Mid Mid (pH 6-8) 2.02 2.4 -126.94 1 8 -2 127 384.351 1 ↓
Lo Low (pH 4.5-6) 1.57 3.63 -59.07 2 8 -1 124 385.359 1 ↓

Vendor Notes

Note Type Comments Provided By
mp 279 MolMall (formerly Molecular Diversity Preservation International)

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Rings

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

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