UCSF

ZINC14806515

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 15 Yes

Popular Name: 1,4-Dimethylendothall 1,4-Dimethylendothall

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CAS Number: 109282-27-1

Other Names:

MFCD00210919

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) 0.66 4.91 -116.06 0 5 -2 89 212.201 2 ↓
Mid Mid (pH 6-8) 0.66 2 -55.67 1 5 -1 87 213.209 2 ↓
Lo Low (pH 4.5-6) 0.66 2.87 -44.86 1 5 -1 87 213.209 2 ↓

Activity (Go SEA)

Rings

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