UCSF

ZINC41587954

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

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Annotations

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Vendors

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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) 2.98 7.71 -14.09 0 7 0 74 444.487 5
Lo Low (pH 4.5-6) 2.98 8.19 -45.13 1 7 1 75 445.495 5

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

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