UCSF

ZINC06256169

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 23 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) 4.25 8.58 -9.15 0 4 0 47 323.421 2
Lo Low (pH 4.5-6) 4.25 9.51 -44.68 1 4 1 49 324.429 2
Lo Low (pH 4.5-6) 4.25 9.06 -45.39 1 4 1 49 324.429 2

Activity (Go SEA)

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