UCSF

ZINC09422270

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 33 No

Popular Name: 2-[[dimethyl-(2-pyridylmethyl)BLAHyl]methyl]isoindoline-1,3-dione 2-[[dimethyl-(2-pyridylmethyl)BL…

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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) 2.56 0.79 -20.2 0 9 0 99 437.463 4 ↓
Lo Low (pH 4.5-6) 2.56 1.02 -49.54 1 9 1 101 438.471 4 ↓

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

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