UCSF

ZINC06813850

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 28 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) 1.16 2.19 -68.16 2 7 -1 110 382.392 8
Mid Mid (pH 6-8) 0.57 2.47 -20.96 2 7 0 104 383.4 8
Mid Mid (pH 6-8) 1.60 1.49 -28.91 3 7 0 107 383.4 7

Activity (Go SEA)

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