UCSF

ZINC20138364

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 34 No

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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) -3.03 6.88 -35.03 3 10 1 119 460.518 6
Mid Mid (pH 6-8) -3.03 9.22 -88.63 4 10 2 120 461.526 6
Lo Low (pH 4.5-6) -3.03 9.66 -154.21 5 10 3 121 462.534 6

Activity (Go SEA)

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