UCSF

ZINC09857899

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2007 20 No

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Annotations

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) -0.51 -2.79 -11.8 2 6 0 83 270.292 4
Lo Low (pH 4.5-6) -0.51 -3.14 -30.67 3 6 1 85 271.3 4
Lo Low (pH 4.5-6) -0.51 -2.67 -41.62 3 6 1 85 271.3 4
Lo Low (pH 4.5-6) -0.51 -3.03 -74.25 4 6 2 86 272.308 4

Activity (Go SEA)

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