UCSF

ZINC31545286

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 23 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) -4.82 -17.25 -48.25 10 11 1 197 342.321 4
Mid Mid (pH 6-8) -4.82 -17.57 -10.73 9 11 0 195 341.313 4

Activity (Go SEA)

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