UCSF

ZINC59110791

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 32 Yes

Popular Name: N-[(3E)-3-(1-isopentyl-5,5-dimethyl-2,4-dioxo-3-piperidylidene)-1,1-dioxo-4H-benzo[e][1,2,4]thiadiaz N-[(3E)-3-(1-isopentyl-5,5-dimet…

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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) 1.59 2.83 -52.27 1 10 -1 144 483.592 6 ↓
Hi High (pH 8-9.5) 2.17 2.66 -213.88 0 10 -3 152 481.576 6 ↓
Mid Mid (pH 6-8) 1.59 2.4 -48.78 1 10 -1 144 483.592 6 ↓
Mid Mid (pH 6-8) 1.59 2.44 -111.39 0 10 -2 146 482.584 6 ↓
Mid Mid (pH 6-8) 2.17 3 -107.4 1 10 -2 150 482.584 6 ↓
Lo Low (pH 4.5-6) 1.59 2.8 -25.18 2 10 0 142 484.6 6 ↓

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

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