UCSF

ZINC33825051

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 32 No

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Annotations

Vendors

    None

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) -0.77 11.16 -29.89 2 8 1 88 437.568 7
Mid Mid (pH 6-8) -0.77 13.42 -82.78 3 8 2 89 438.576 7

Activity (Go SEA)

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