UCSF

ZINC18141403

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 24 No

Popular Name: 1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl N'-phenylimidothiocarbamate 1-(3-methylphenyl)-2,5-dioxo-3-p…

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Other Names:

MFCD00558861

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) 2.31 8.79 -13.99 2 5 0 76 339.42 4 ↓
Ref Reference (pH 7) 2.31 8.2 -13.89 2 5 0 76 339.42 4 ↓
Ref Reference (pH 7) 2.31 8.2 -14.32 2 5 0 76 339.42 4 ↓
Ref Reference (pH 7) 2.31 8.8 -13.98 2 5 0 76 339.42 4 ↓
Mid Mid (pH 6-8) 2.44 9.28 -13.93 2 5 0 73 339.42 5 ↓
Mid Mid (pH 6-8) 2.44 8.65 -13.03 2 5 0 73 339.42 5 ↓
Mid Mid (pH 6-8) 2.44 9.17 -13.4 2 5 0 73 339.42 5 ↓
Mid Mid (pH 6-8) 2.44 8.64 -12.4 2 5 0 73 339.42 5 ↓
Lo Low (pH 4.5-6) 2.44 8.62 -38.09 3 5 1 75 340.428 5 ↓
Lo Low (pH 4.5-6) 2.44 8.59 -38 3 5 1 75 340.428 5 ↓

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

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