UCSF

ZINC37192019

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 Yes

Popular Name: 5-[[(2R,4R)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methylsulfanyl]pyridin-2-amine 5-[[(2R,4R)-2-methyl-2-phenyl-1,…

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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) 2.96 6.86 -7.81 2 4 0 57 302.399 4 ↓
Lo Low (pH 4.5-6) 2.96 7.34 -33.13 3 4 1 59 303.407 4 ↓

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

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