UCSF

ZINC22926527

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 14 Yes

Popular Name: 1-Pyridin-2-ylmethyl-[1,4]diazepane 1-Pyridin-2-ylmethyl-[1,4]diazepane

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CAS Numbers: 247118-06-5 , [247118-06-5]

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) 0.14 3.38 -30.06 2 3 1 29 192.286 2 ↓
Lo Low (pH 4.5-6) 0.14 2.95 -83.07 3 3 2 34 193.294 2 ↓
Lo Low (pH 4.5-6) 0.14 3.02 -37.74 2 3 1 33 192.286 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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