UCSF

ZINC34677834

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 32 Yes

Popular Name: (4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]oxazol-4-yl]methanon (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) 2.43 6.9 -95.57 3 8 2 79 449.64 9 ↓
Hi High (pH 8-9.5) 2.43 2.47 -7.8 1 8 0 76 447.624 9 ↓
Mid Mid (pH 6-8) 2.43 4.74 -45.33 2 8 1 77 448.632 9 ↓
Mid Mid (pH 6-8) 2.43 4.62 -39.51 2 8 1 77 448.632 9 ↓
Lo Low (pH 4.5-6) 2.43 6.93 -90.72 3 8 2 79 449.64 9 ↓

Activity (Go SEA)

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