UCSF

ZINC20564758

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 13 Yes

Popular Name: 2-(Methylamino)-N-(3-pyridinylmethyl)acetamide hydrochloride 2-(Methylamino)-N-(3-pyridinylme…

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CAS Numbers: 1220038-52-7 , N/A , [1220038-52-7]

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) -0.13 1.13 -43.16 3 4 1 59 180.231 4 ↓
Hi High (pH 8-9.5) -0.13 -0.34 -9.51 2 4 0 54 179.223 4 ↓
Lo Low (pH 4.5-6) -0.13 1.57 -90.8 4 4 2 60 181.239 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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