UCSF

ZINC36126272

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 28 No

Popular Name: 2-[3-[(3R,5R)-4-(2-dimethylaminoethyl)-3,5-dimethyl-piperazin-1-yl]-3-oxo-propyl]isoindoline-1,3-dio 2-[3-[(3R,5R)-4-(2-dimethylamino…

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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) 1.73 7.84 -48.24 1 7 1 67 387.504 6 ↓
Hi High (pH 8-9.5) 1.73 5.39 -12.07 0 7 0 66 386.496 6 ↓
Lo Low (pH 4.5-6) 1.73 9.87 -120.52 2 7 2 68 388.512 6 ↓

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

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