UCSF

ZINC34677495

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Substance Information

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

Popular Name: N-(cyclohexylmethyl)-2-[[4-[(2R)-2-hydroxy-3-morpholino-propyl]piperazin-1-yl]methyl]oxazole-4-carbo N-(cyclohexylmethyl)-2-[[4-[(2R)…

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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) 1.11 -0.05 -46.88 3 9 1 96 450.604 9 ↓
Mid Mid (pH 6-8) 1.11 2.23 -97.31 4 9 2 97 451.612 9 ↓
Mid Mid (pH 6-8) 1.11 -2.31 -10.08 2 9 0 94 449.596 9 ↓

Activity (Go SEA)

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