UCSF

ZINC41584838

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

Popular Name: (2Z)-7-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-2-[(4-isopropylphenyl)methylene]-4-methyl-benzofur (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) 6.11 13.48 -44.49 2 5 1 58 483.632 6 ↓
Hi High (pH 8-9.5) 6.11 11.75 -42.9 0 5 -1 60 481.616 6 ↓
Mid Mid (pH 6-8) 6.11 13.44 -45.26 2 5 1 58 483.632 6 ↓
Mid Mid (pH 6-8) 6.11 14.05 -28.17 1 5 0 61 482.624 6 ↓
Mid Mid (pH 6-8) 6.11 11.19 -8.5 1 5 0 57 482.624 6 ↓

Activity (Go SEA)

Rings

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