UCSF

ZINC04830904

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 22 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) -0.75 1 -57.55 3 11 -1 158 328.201 1
Lo Low (pH 4.5-6) -0.75 1.27 -69.88 4 11 0 159 329.209 1
Lo Low (pH 4.5-6) -0.75 -3.11 -66.55 4 11 0 159 329.209 1

Activity (Go SEA)

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