UCSF

ZINC15018382

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 33 No

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

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Other Names:

MFCD01647696

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) 7.68 15.12 -16.34 1 5 0 67 453.567 3 ↓
Ref Reference (pH 7) 7.68 12.33 -10.66 1 5 0 67 453.567 3 ↓
Ref Reference (pH 7) 7.68 13.79 -15.36 1 5 0 67 453.567 3 ↓
Mid Mid (pH 6-8) 8.13 10.41 -51.66 0 5 -1 70 452.559 3 ↓
Mid Mid (pH 6-8) 8.13 12 -58.95 0 5 -1 70 452.559 3 ↓
Mid Mid (pH 6-8) 8.13 13.32 -59.93 0 5 -1 70 452.559 3 ↓

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

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