UCSF

ZINC05298919

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 18 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) -0.43 -0.76 -16.28 3 7 0 97 254.242 5
Hi High (pH 8-9.5) -0.43 0.46 -51.64 2 7 -1 100 253.234 5

Activity (Go SEA)

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