UCSF

ZINC17154695

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 26 No

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

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Other Names:

MFCD03784934

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) 5.93 7.68 -7.56 2 5 0 78 383.86 2 ↓
Ref Reference (pH 7) 5.93 9.13 -12.69 2 5 0 78 383.86 2 ↓
Ref Reference (pH 7) 5.93 9.55 -11.75 2 5 0 78 383.86 2 ↓
Hi High (pH 8-9.5) 5.90 7.28 -112.27 0 5 -2 80 381.844 3 ↓
Mid Mid (pH 6-8) 6.39 5.75 -43.16 1 5 -1 81 382.852 2 ↓
Mid Mid (pH 6-8) 6.39 5.88 -43.09 1 5 -1 81 382.852 2 ↓
Mid Mid (pH 6-8) 6.39 7.34 -51.58 1 5 -1 81 382.852 2 ↓
Mid Mid (pH 6-8) 6.39 7.76 -50.16 1 5 -1 81 382.852 2 ↓
Mid Mid (pH 6-8) 6.39 8.04 -49.41 1 5 -1 81 382.852 2 ↓
Mid Mid (pH 6-8) 6.39 7.35 -52.89 1 5 -1 81 382.852 2 ↓
Lo Low (pH 4.5-6) 5.44 8.07 -11.54 2 5 0 75 383.86 3 ↓

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