UCSF

ZINC34603227

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 39 Yes

Popular Name: N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(4-methylpent-3-enyl)piperazin-1-yl]pyrimidin-2-yl]amino]methyl N'-cyclohexyl-N-[[4-[[[4-methyl-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.03 16.98 -89.01 5 7 2 74 535.825 14 ↓
Hi High (pH 8-9.5) 6.03 14.72 -42.68 4 7 1 73 534.817 14 ↓
Mid Mid (pH 6-8) 6.03 18.7 -241.98 7 7 4 80 537.841 14 ↓
Mid Mid (pH 6-8) 6.03 17.31 -143.41 6 7 3 75 536.833 14 ↓
Mid Mid (pH 6-8) 6.03 18.35 -176.37 6 7 3 79 536.833 14 ↓

Activity (Go SEA)

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