UCSF

ZINC53589966

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 18 No

Popular Name: (3S)-N-[2-[(6-methyl-3-pyridyl)oxy]ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-[(6-methyl-3-pyridyl)o…

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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) 0.28 1.55 -64.2 2 5 1 73 271.362 5 ↓
Mid Mid (pH 6-8) 0.28 0.4 -15.1 1 5 0 68 270.354 5 ↓
Lo Low (pH 4.5-6) 0.28 1.97 -116.68 3 5 2 74 272.37 5 ↓

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

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