UCSF

ZINC13409402

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-bromo-2-oxo-indolin-3-ylidene)-5-oxo-1H-pyrazol-3-yl]-4-hydroxy-1-methyl-quinolin-2-one 3-[(4E)-4-(6-bromo-2-oxo-indolin…

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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) 3.27 1.19 -232.86 0 8 -3 130 462.239 1 ↓
Mid Mid (pH 6-8) 2.81 3.53 -141.77 1 8 -2 127 463.247 1 ↓
Mid Mid (pH 6-8) 2.81 2.84 -137.49 1 8 -2 127 463.247 1 ↓
Mid Mid (pH 6-8) 2.81 2.58 -119.04 1 8 -2 127 463.247 1 ↓
Mid Mid (pH 6-8) 2.81 3 -118.65 1 8 -2 127 463.247 1 ↓
Lo Low (pH 4.5-6) 2.35 4.23 -52.89 2 8 -1 124 464.255 1 ↓
Lo Low (pH 4.5-6) 2.35 4.81 -50.3 2 8 -1 124 464.255 1 ↓
Lo Low (pH 4.5-6) 2.81 1.8 -45.98 2 8 -1 124 464.255 1 ↓

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Rings

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

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