UCSF

ZINC31992925

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) -2.23 -2.02 -15.03 2 6 0 98 246.288 1
Mid Mid (pH 6-8) -2.23 -1.7 -68.31 3 6 1 99 247.296 1

Activity (Go SEA)

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