UCSF

ZINC09041216

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 31 No

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Annotations

None

Vendors

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) 3.83 -0.39 -48.47 2 6 1 71 441.935 5
Mid Mid (pH 6-8) 2.80 -0.57 -49.66 1 6 1 68 441.935 6

Activity (Go SEA)

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