UCSF

ZINC20002109

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 No

Popular Name: (2S)-4-(1,3-benzodioxol-5-yl)-2-methyl-2-thiomorpholino-butan-1-amine (2S)-4-(1,3-benzodioxol-5-yl)-2-…

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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) 2.18 4.8 -57.3 3 4 1 49 309.455 5 ↓
Lo Low (pH 4.5-6) 2.18 6.57 -142.75 4 4 2 51 310.463 5 ↓

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