UCSF

ZINC59816638

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 31 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) 2.46 6.49 -9.05 3 8 0 75 463.677 3
Lo Low (pH 4.5-6) 2.46 7.73 -55.81 4 8 1 80 464.685 3

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

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