UCSF

ZINC41584316

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

Popular Name: (2E)-7-[[bis(2-methoxyethyl)amino]methyl]-6-hydroxy-4-methyl-2-[(2,4,5-trimethoxyphenyl)methylene]be (2E)-7-[[bis(2-methoxyethyl)amin…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.91 4.15 -12.66 1 9 0 100 487.549 12 ↓
Hi High (pH 8-9.5) 2.91 4.91 -52.06 0 9 -1 103 486.541 12 ↓
Mid Mid (pH 6-8) 2.91 7.12 -36.98 1 9 0 104 487.549 12 ↓
Mid Mid (pH 6-8) 2.91 6.34 -42.2 2 9 1 101 488.557 12 ↓

Activity (Go SEA)

Rings

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