UCSF

ZINC58342903

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 22 Yes

Popular Name: (4S)-4-methyl-2-[[3-(morpholinomethyl)phenyl]methylamino]-4H-oxazol-5-one (4S)-4-methyl-2-[[3-(morpholinom…

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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) 1.09 2.97 -36.12 2 6 1 65 304.37 5 ↓
Mid Mid (pH 6-8) 1.09 1.32 -6.21 1 6 0 63 303.362 5 ↓
Lo Low (pH 4.5-6) 1.09 5.22 -90.48 3 6 2 66 305.378 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.