UCSF

ZINC03999903

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 25 Yes

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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) 3.67 -1.75 -35.78 2 4 1 46 341.475 5
Lo Low (pH 4.5-6) 3.67 -1.66 -95 3 4 2 48 342.483 5

Activity (Go SEA)

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