UCSF

ZINC41668212

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 Yes

Popular Name: 6-[[(2R)-4-isobutylmorpholin-2-yl]methylsulfanyl]pyridine-3-carboxylic 6-[[(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) 2.20 6.37 -44.52 0 5 -1 65 309.411 6 ↓
Mid Mid (pH 6-8) 2.20 8.38 -69 1 5 0 67 310.419 6 ↓

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Rings

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

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