UCSF

ZINC40232207

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 31 Yes

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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) 5.35 13.55 -12.24 0 5 0 46 414.505 10
Lo Low (pH 4.5-6) 5.35 14.21 -30.77 1 5 1 47 415.513 10

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

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