UCSF

ZINC02092377

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 33 No

Popular Name: 7-bromo-5-methyl-3-{3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one 7-bromo-5-methyl-3-{3-(4-methylp…

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Other Names:

MFCD01064549

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) 8.24 11.79 -55.16 0 5 -1 70 517.428 2 ↓
Ref Reference (pH 7) 8.24 13.19 -55.99 0 5 -1 70 517.428 2 ↓
Mid Mid (pH 6-8) 7.81 13.58 -13.58 1 5 0 67 518.436 2 ↓
Mid Mid (pH 6-8) 7.81 14.97 -14.34 1 5 0 67 518.436 2 ↓

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Rings

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

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