UCSF

ZINC67513596

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 21 Yes

Popular Name: (2R)-2-methyl-1-[(2-morpholinothiazol-5-yl)methyl]-1,4-diazepan-5-one (2R)-2-methyl-1-[(2-morpholinoth…

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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) 0.55 2.02 -11.46 1 6 0 58 310.423 3 ↓
Mid Mid (pH 6-8) 0.55 3.96 -46.75 2 6 1 59 311.431 3 ↓
Lo Low (pH 4.5-6) 0.55 4.41 -107.44 3 6 2 60 312.439 3 ↓

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

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