UCSF

ZINC04820137

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 29 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) 2.91 8.46 -45.8 0 6 -1 79 398.41 8
Mid Mid (pH 6-8) 3.36 0.42 -27.64 1 6 0 76 399.418 7
Mid Mid (pH 6-8) 2.33 0.63 -18.66 0 6 0 72 399.418 8

Activity (Go SEA)

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