UCSF

ZINC67432998

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 16 No

Popular Name: 5-[2-(1,4-dithiepan-6-ylamino)ethyl]-1,3,4-thiadiazol-2-amine 5-[2-(1,4-dithiepan-6-ylamino)et…

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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) 0.73 3.95 -51.49 4 4 1 68 277.464 4 ↓
Mid Mid (pH 6-8) 0.73 2.72 -8.26 3 4 0 64 276.456 4 ↓

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

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