UCSF

ZINC36967710

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 Yes

Popular Name: 2-[[(2R)-4-isobutylmorpholin-2-yl]methylsulfanyl]benzoic 2-[[(2R)-4-isobutylmorpholin-2-y…

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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) 2.88 7.87 -54.02 0 4 -1 53 308.423 6 ↓
Mid Mid (pH 6-8) 2.88 9.88 -74.14 1 4 0 54 309.431 6 ↓

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

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