UCSF

ZINC59110562

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 34 Yes

Popular Name: N-[(3E)-3-[(8R,8aS)-8-isopentyl-8-methyl-5,7-dioxo-1,2,3,8a-tetrahydroindolizin-6-ylidene]-1,1-dioxo N-[(3E)-3-[(8R,8aS)-8-isopentyl-…

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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) 1.70 3.86 -54.27 1 10 -1 144 509.63 6 ↓
Hi High (pH 8-9.5) 2.29 3.21 -222.63 0 10 -3 152 507.614 6 ↓
Mid Mid (pH 6-8) 2.29 3.52 -111.64 1 10 -2 150 508.622 6 ↓
Mid Mid (pH 6-8) 1.70 3.47 -50.32 1 10 -1 144 509.63 6 ↓
Mid Mid (pH 6-8) 1.70 3.51 -118.12 0 10 -2 146 508.622 6 ↓
Lo Low (pH 4.5-6) 1.70 3.81 -22.88 2 10 0 142 510.638 6 ↓

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

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