UCSF

ZINC41514130

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 32 No

Popular Name: (2Z)-2-[(4-dimethylaminophenyl)methylene]-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-m (2Z)-2-[(4-dimethylaminophenyl)m…

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) 2.67 5.69 -44.28 3 7 1 82 438.548 6 ↓
Hi High (pH 8-9.5) 2.67 3.99 -48.72 1 7 -1 83 436.532 6 ↓
Mid Mid (pH 6-8) 2.67 5.77 -42.65 3 7 1 82 438.548 6 ↓
Mid Mid (pH 6-8) 2.67 6.27 -32.19 2 7 0 84 437.54 6 ↓
Mid Mid (pH 6-8) 2.67 3.41 -11.34 2 7 0 80 437.54 6 ↓
Lo Low (pH 4.5-6) 2.67 6.47 -101.93 4 7 0 83 439.556 6 ↓

Activity (Go SEA)

Rings

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