UCSF

ZINC62977214

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 38 No

Popular Name: (2Z)-7-[(4-benzylpiperazin-1-yl)methyl]-2-[[4-(diethylamino)phenyl]methylene]-6-hydroxy-4-methyl-ben (2Z)-7-[(4-benzylpiperazin-1-yl)…

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) 5.45 13.97 -102.71 3 6 0 63 513.682 8 ↓
Hi High (pH 8-9.5) 5.45 12.14 -45.65 0 6 -1 63 510.658 8 ↓
Hi High (pH 8-9.5) 5.45 14.42 -29.76 1 6 0 64 511.666 8 ↓
Hi High (pH 8-9.5) 5.45 11.55 -9.76 1 6 0 60 511.666 8 ↓
Mid Mid (pH 6-8) 5.45 13.85 -44.58 2 6 1 61 512.674 8 ↓
Mid Mid (pH 6-8) 5.45 11.68 -46.39 2 6 0 61 512.674 8 ↓
Mid Mid (pH 6-8) 5.45 13.92 -123.58 3 6 0 63 513.682 8 ↓

Activity (Go SEA)

Rings

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

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