UCSF

ZINC02087925

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 25 No

Popular Name: 5-bromo-3-{2-[(4-bromophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one 5-bromo-3-{2-[(4-bromophenyl)imi…

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Other Names:

MFCD02943938

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) 5.51 6.95 -37.87 1 5 -1 77 478.145 2 ↓
Ref Reference (pH 7) 6.00 7.01 -7.88 2 5 0 78 479.153 1 ↓
Ref Reference (pH 7) 6.00 7.44 -7.59 2 5 0 78 479.153 1 ↓
Mid Mid (pH 6-8) 6.92 3.25 -99.03 0 5 -2 84 477.137 1 ↓
Mid Mid (pH 6-8) 6.46 5.08 -38.23 1 5 -1 81 478.145 1 ↓
Mid Mid (pH 6-8) 6.46 5.21 -41.51 1 5 -1 81 478.145 1 ↓
Mid Mid (pH 6-8) 5.97 5.02 -94.41 0 5 -2 80 477.137 2 ↓
Mid Mid (pH 6-8) 6.46 5.9 -39.94 1 5 -1 81 478.145 1 ↓
Mid Mid (pH 6-8) 6.46 5.49 -36.9 1 5 -1 81 478.145 1 ↓
Mid Mid (pH 6-8) 6.92 3.93 -96.72 0 5 -2 84 477.137 1 ↓

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