UCSF

ZINC59752860

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 26 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) -1.78 -0.49 -69.29 7 8 0 158 360.366 7
Mid Mid (pH 6-8) -1.78 -0.74 -55.57 6 8 -1 156 359.358 7

Activity (Go SEA)

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