UCSF

ZINC13128618

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 36 No

Popular Name: 1-[4-(1,3-dioxoisoindolin-2-yl)butylsulfanyl]-N'-[(2-oxoindolin-3-ylidene)amino]-N-[[(2S)-tetrahydro 1-[4-(1,3-dioxoisoindolin-2-yl)b…

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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) 3.87 9.96 -35.13 3 9 1 120 506.608 10 ↓
Hi High (pH 8-9.5) 4.32 8.13 -40.9 2 9 0 123 505.6 10 ↓
Hi High (pH 8-9.5) 3.87 10.01 -32.03 3 9 1 120 506.608 10 ↓
Hi High (pH 8-9.5) 3.87 9.83 -23.24 2 9 0 118 505.6 10 ↓
Hi High (pH 8-9.5) 5.22 9.68 -92.71 4 9 2 118 507.616 11 ↓
Hi High (pH 8-9.5) 5.22 9.24 -29.42 3 9 1 116 506.608 11 ↓
Hi High (pH 8-9.5) 4.32 7.86 -48.5 2 9 0 123 505.6 10 ↓

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