UCSF

ZINC47262686

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 16 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) -0.61 1.77 -57.4 3 6 1 86 227.288 7
Mid Mid (pH 6-8) -0.61 -0.42 -24.74 2 6 0 85 226.28 7

Activity (Go SEA)

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