UCSF

ZINC53122849

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 36 No

Popular Name: N-[3-[(3R)-1-cyclopentyl-4-hydroxy-3-isopentyl-3-methyl-6-oxo-2H-pyridin-5-yl]-1,1-dioxo-4H-benzo[e] N-[3-[(3R)-1-cyclopentyl-4-hydro…

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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) 2.71 4.8 -26.01 1 10 0 144 537.684 7 ↓
Hi High (pH 8-9.5) 3.30 5.02 -221.64 0 10 -3 152 535.668 7 ↓
Mid Mid (pH 6-8) 2.71 4.47 -21.89 0 10 0 146 536.676 7 ↓
Mid Mid (pH 6-8) 2.71 4.28 -37.26 1 10 0 144 537.684 7 ↓
Mid Mid (pH 6-8) 3.30 5.38 -110.81 1 10 -2 150 536.676 7 ↓
Lo Low (pH 4.5-6) 2.71 4.62 -36.51 2 10 0 142 538.692 7 ↓

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