UCSF

ZINC37204025

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 Yes

Popular Name: 3-chloro-2-[[(2S)-4-isobutylmorpholin-2-yl]methylsulfanyl]aniline 3-chloro-2-[[(2S)-4-isobutylmorp…

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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) 3.42 5.94 -5.29 2 3 0 38 314.882 5 ↓
Mid Mid (pH 6-8) 3.42 7.96 -38.21 3 3 1 40 315.89 5 ↓

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Rings

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

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