UCSF

ZINC40660318

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 24 No

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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) 3.13 11.86 -10.15 1 8 0 101 326.36 6
Lo Low (pH 4.5-6) 3.13 12.34 -25.43 2 8 1 103 327.368 6

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

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