UCSF

ZINC37189903

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 Yes

Popular Name: 4-[[(2R)-4-isobutylmorpholin-2-yl]methylsulfanyl]pyridin-3-amine 4-[[(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) 1.70 3.61 -5.43 2 4 0 51 281.425 5 ↓
Mid Mid (pH 6-8) 1.70 5.62 -42.39 3 4 1 53 282.433 5 ↓
Lo Low (pH 4.5-6) 1.70 6.07 -82.71 4 4 2 54 283.441 5 ↓

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

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