UCSF

ZINC53603573

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 20 No

Popular Name: 5-(1-adamantyl)-N-allyl-6H-1,3,4-thiadiazin-2-amine 5-(1-adamantyl)-N-allyl-6H-1,3,4…

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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) 3.89 8.52 -26.65 2 3 1 38 290.456 3 ↓
Hi High (pH 8-9.5) 3.89 8.4 -7.31 1 3 0 37 289.448 4 ↓
Mid Mid (pH 6-8) 3.89 8.42 -26.01 2 3 1 38 290.456 4 ↓

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

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