UCSF

ZINC19876654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 0.16 2.39 -12.09 2 5 0 67 266.684 2
Mid Mid (pH 6-8) 0.16 2.54 -11.18 2 5 0 67 266.684 2
Lo Low (pH 4.5-6) 0.16 3.35 -42.05 3 5 1 72 267.692 2

Activity (Go SEA)

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