UCSF

ZINC39266338

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 35 No

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Annotations

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) 5.08 13.25 -48.17 3 5 1 63 482.526 8
Hi High (pH 8-9.5) 5.27 11.13 -36.72 2 5 0 69 481.518 8

Activity (Go SEA)

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