UCSF

ZINC34677395

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 27 Yes

Popular Name: 2-[[4-[(2S)-2-hydroxyhex-5-enyl]piperazin-1-yl]methyl]-N-[(2S)-2-methylbutyl]oxazole-4-carboxamide 2-[[4-[(2S)-2-hydroxyhex-5-enyl]…

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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) 2.00 2.41 -43.85 3 7 1 83 379.525 11 ↓
Mid Mid (pH 6-8) 2.00 0.15 -7.88 2 7 0 82 378.517 11 ↓
Lo Low (pH 4.5-6) 2.00 2.46 -43.05 3 7 1 83 379.525 11 ↓

Activity (Go SEA)

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