UCSF

ZINC69135190

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 21 No

Popular Name: N-benzyl-N'-[(3R)-1,1-dioxothian-3-yl]-N-methyl-propane-1,3-diamine N-benzyl-N'-[(3R)-1,1-dioxothian…

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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) 1.59 5.14 -47.52 2 4 1 51 311.471 7 ↓
Mid Mid (pH 6-8) 1.59 3.98 -57.31 2 4 1 54 311.471 7 ↓
Lo Low (pH 4.5-6) 1.59 6.33 -130.5 3 4 2 55 312.479 7 ↓

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

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