UCSF

ZINC34602538

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 40 Yes

Popular Name: N'-cyclohexyl-N-[[4-[[[4-[4-(cyclohexylmethyl)piperazin-1-yl]-6-methyl-pyrimidin-2-yl]amino]methyl]p N'-cyclohexyl-N-[[4-[[[4-[4-(cyc…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 6.38 17.56 -88.92 5 7 2 74 549.852 13 ↓
Hi High (pH 8-9.5) 6.38 15.69 -42.29 4 7 1 73 548.844 13 ↓
Mid Mid (pH 6-8) 6.38 18.91 -176 6 7 3 79 550.86 13 ↓
Mid Mid (pH 6-8) 6.38 17.91 -144.13 6 7 3 75 550.86 13 ↓
Lo Low (pH 4.5-6) 6.38 19.25 -242.73 7 7 4 80 551.868 13 ↓

Activity (Go SEA)

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