UCSF

ZINC04067300

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 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) 5.21 1.11 -11.69 0 6 0 74 461.558 8
Mid Mid (pH 6-8) 5.21 1.48 -14.63 0 6 0 74 461.558 8
Mid Mid (pH 6-8) 5.39 2.33 -12.32 0 6 0 74 461.558 8
Mid Mid (pH 6-8) 5.39 1.6 -12.82 0 6 0 74 461.558 8

Activity (Go SEA)

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