UCSF

ZINC84316978

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2013 24 No

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Annotations

None

Vendors

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) -0.60 2.59 -32.76 3 8 0 125 338.36 9
Hi High (pH 8-9.5) -0.60 0.8 -50.33 2 8 -1 124 337.352 9
Lo Low (pH 4.5-6) -0.60 3.1 -68.23 4 8 1 127 339.368 9

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

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