UCSF

ZINC07486122

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2006 20 No

Popular Name: 1,8-Bis(2-pyridyl)-3,6-dithiaoctane 1,8-Bis(2-pyridyl)-3,6-dithiaoctane

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CAS Number: 64691-70-9

Other Names:

MFCD00006366

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) 2.63 10.44 -7.17 0 2 0 26 304.484 9 ↓
Lo Low (pH 4.5-6) 2.63 10.72 -34.14 1 2 1 27 305.492 9 ↓
Lo Low (pH 4.5-6) 2.63 10.99 -70.9 2 2 2 28 306.5 9 ↓

Vendor Notes

Note Type Comments Provided By
MP 51 TCI

Activity (Go SEA)

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