UCSF

ZINC34677909

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 30 Yes

Popular Name: (4-cyclopentylpiperazin-1-yl)-[2-[[4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]methyl]oxazol-4-yl]me (4-cyclopentylpiperazin-1-yl)-[2…

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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) 1.31 6.18 -94.74 3 8 2 79 421.586 6 ↓
Hi High (pH 8-9.5) 1.31 1.75 -8.56 1 8 0 76 419.57 6 ↓
Mid Mid (pH 6-8) 1.31 4.08 -45.32 2 8 1 77 420.578 6 ↓
Mid Mid (pH 6-8) 1.31 3.94 -38.92 2 8 1 77 420.578 6 ↓
Lo Low (pH 4.5-6) 1.31 5.65 -89.23 3 8 2 79 421.586 6 ↓

Activity (Go SEA)

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