UCSF

ZINC20728320

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 33 Yes

Popular Name: (5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]imidazolidine-2,4-dion (5S)-3-(1,3-benzodioxol-5-ylmeth…

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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) 2.21 2.91 -13.98 1 9 0 95 450.495 6 ↓
Ref Reference (pH 7) 2.59 6.16 -13.73 1 9 0 91 450.495 6 ↓
Mid Mid (pH 6-8) 2.59 8.37 -52.89 2 9 1 93 451.503 6 ↓
Lo Low (pH 4.5-6) 2.21 5.12 -50.34 2 9 1 96 451.503 6 ↓

Activity (Go SEA)

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