UCSF

ZINC53371750

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 27 Yes

Popular Name: N-[2-(N-ethyl-2-methyl-anilino)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-[2-(N-ethyl-2-methyl-anilino)e…

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Vendors

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) 1.86 2.98 -41.76 2 8 -1 114 366.401 6 ↓
Lo Low (pH 4.5-6) 1.41 4.57 -51.5 4 8 1 112 368.417 6 ↓
Lo Low (pH 4.5-6) 1.41 4.91 -13.91 3 8 0 111 367.409 6 ↓
Lo Low (pH 4.5-6) 1.86 2.62 -66.53 3 8 0 115 367.409 6 ↓

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

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