UCSF

ZINC39723959

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 27 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) 5.55 12.19 -18.42 1 4 0 55 456.445 8
Hi High (pH 8-9.5) 5.74 10.74 -44.86 0 4 -1 61 455.437 8

Activity (Go SEA)

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