UCSF

ZINC16267580

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2008 26 No

Popular Name: (3E)-3-[(2E)-2-(3-chloro-4-methyl-phenyl)imino-4-oxo-thiazolidin-5-ylidene]-7-methyl-indolin-2-one (3E)-3-[(2E)-2-(3-chloro-4-methy…

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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) 5.87 9.39 -12 2 5 0 78 383.86 1 ↓
Mid Mid (pH 6-8) 6.32 7.17 -51.37 1 5 -1 81 382.852 1 ↓
Mid Mid (pH 6-8) 6.32 7.18 -53.55 1 5 -1 81 382.852 1 ↓
Mid Mid (pH 6-8) 6.32 5.57 -43.22 1 5 -1 81 382.852 1 ↓
Mid Mid (pH 6-8) 6.32 5.72 -43.97 1 5 -1 81 382.852 1 ↓
Mid Mid (pH 6-8) 6.32 5.99 -43.24 1 5 -1 81 382.852 1 ↓
Mid Mid (pH 6-8) 6.32 6.4 -41.75 1 5 -1 81 382.852 1 ↓
Mid Mid (pH 6-8) 6.32 7.87 -50.33 1 5 -1 81 382.852 1 ↓
Mid Mid (pH 6-8) 6.32 7.59 -50.03 1 5 -1 81 382.852 1 ↓
Lo Low (pH 4.5-6) 5.37 7.89 -11.95 2 5 0 75 383.86 2 ↓

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