UCSF

ZINC45254323

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 35 Yes

Popular Name: N-[3-[(3R)-1-cyclopentyl-4-hydroxy-3-isopentyl-6-oxo-2,3-dihydropyridin-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) 2.47 5.02 -30.57 1 10 0 144 523.657 7 ↓
Hi High (pH 8-9.5) 3.05 4.54 -219.92 0 10 -3 152 521.641 7 ↓
Hi High (pH 8-9.5) 3.05 4.89 -110.29 1 10 -2 150 522.649 7 ↓
Mid Mid (pH 6-8) 2.47 4.6 -25.67 0 10 0 146 522.649 7 ↓
Mid Mid (pH 6-8) 2.47 4.43 -29.05 1 10 0 144 523.657 7 ↓
Mid Mid (pH 6-8) 2.47 4.51 -47.81 1 10 -1 144 523.657 7 ↓
Mid Mid (pH 6-8) 2.47 4.55 -113.26 0 10 -2 146 522.649 7 ↓
Mid Mid (pH 6-8) 3.05 4.73 -54.31 2 10 -1 148 523.657 7 ↓
Lo Low (pH 4.5-6) 2.47 4.85 -29.29 2 10 0 142 524.665 7 ↓

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