UCSF

ZINC34932957

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) -2.97 -2.91 -137.57 5 12 -2 198 344.224 4
Mid Mid (pH 6-8) -2.97 -2.76 -148.68 6 12 -1 199 345.232 4
Lo Low (pH 4.5-6) -2.97 -3.92 -74.37 7 12 0 196 346.24 4

Activity (Go SEA)

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