UCSF

ZINC04111760

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 34 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) 5.59 -0.52 -9.88 1 6 0 85 461.558 8
Mid Mid (pH 6-8) 5.59 -0.6 -13.59 1 6 0 85 461.558 8
Mid Mid (pH 6-8) 5.77 -1.85 -11.14 1 6 0 85 461.558 8

Activity (Go SEA)

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