UCSF

ZINC00151936

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2005 14 Yes

Popular Name: 3-(4,6-Dimethyl-pyrimidin-2-ylamino)-propionic acid 3-(4,6-Dimethyl-pyrimidin-2-ylam…

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CAS Number: 781654-86-2

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) 0.79 5.75 -48.37 1 5 -1 78 194.214 4 ↓
Lo Low (pH 4.5-6) 0.79 6.08 -42.31 2 5 0 79 195.222 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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