UCSF

ZINC60220781

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 32 No

Popular Name: 2-[(E)-4-[2-[4-(propylamino)-3-(trifluoromethyl)phenyl]ethylamino]but-2-enyl]isoindoline-1,3-dione 2-[(E)-4-[2-[4-(propylamino)-3-(…

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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) 4.84 11.64 -48.53 3 5 1 68 446.493 11 ↓
Hi High (pH 8-9.5) 4.84 10.27 -10.61 2 5 0 63 445.485 11 ↓

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

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