UCSF

ZINC65731262

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 26 No

Popular Name: (E,2S)-4-(2-aminoethoxy)-2-[[(2R)-2-methyl-3-oxo-5-(phosphonooxymethyl)-2,6-dihydro-1H-pyridin-4-yl] (E,2S)-4-(2-aminoethoxy)-2-[[(2R…

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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) -4.65 -1.36 -206.7 5 11 -2 191 391.317 11 ↓
Hi High (pH 8-9.5) -4.65 -1.8 -217.06 4 11 -3 189 390.309 11 ↓
Mid Mid (pH 6-8) -4.65 -0.23 -158.06 6 11 -1 195 392.325 11 ↓
Mid Mid (pH 6-8) -4.65 -2.52 -119.53 6 11 -1 188 392.325 11 ↓
Lo Low (pH 4.5-6) -4.65 -1.38 -89.47 7 11 0 192 393.333 11 ↓

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

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