UCSF

ZINC41585408

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

Popular Name: (2Z)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-4-methyl-2-[(5-methyl-2-furyl)methylene] (2Z)-7-[[4-(2-fluorophenyl)piper…

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) 4.49 12.55 -40.61 2 6 1 71 449.502 4 ↓
Mid Mid (pH 6-8) 4.49 13.11 -30.59 1 6 0 74 448.494 4 ↓
Mid Mid (pH 6-8) 4.49 10.29 -12.06 1 6 0 70 448.494 4 ↓
Mid Mid (pH 6-8) 4.49 10.89 -51.59 0 6 -1 73 447.486 4 ↓

Activity (Go SEA)

Rings

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