UCSF

ZINC04878398

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 19 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) -1.48 -1.88 -20.49 4 8 0 116 284.297 2
Mid Mid (pH 6-8) -0.75 -2.28 -47.05 3 8 -1 114 283.289 2

Activity (Go SEA)

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