UCSF

ZINC13409398

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 30 No

Popular Name: 3-[(4E)-4-(6-chloro-2-oxo-indolin-3-ylidene)-5-oxo-1H-pyrazol-3-yl]-4-hydroxy-1-methyl-quinolin-2-on 3-[(4E)-4-(6-chloro-2-oxo-indoli…

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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) 3.13 1.08 -232.26 0 8 -3 130 417.788 1 ↓
Mid Mid (pH 6-8) 2.68 3.44 -141.98 1 8 -2 127 418.796 1 ↓
Mid Mid (pH 6-8) 2.68 2.74 -137.72 1 8 -2 127 418.796 1 ↓
Mid Mid (pH 6-8) 2.68 2.47 -118.87 1 8 -2 127 418.796 1 ↓
Mid Mid (pH 6-8) 2.68 2.89 -118.27 1 8 -2 127 418.796 1 ↓
Lo Low (pH 4.5-6) 2.22 4.12 -53.23 2 8 -1 124 419.804 1 ↓
Lo Low (pH 4.5-6) 2.22 4.71 -50.5 2 8 -1 124 419.804 1 ↓
Lo Low (pH 4.5-6) 2.68 1.7 -46.08 2 8 -1 124 419.804 1 ↓

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

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