UCSF

ZINC04472446

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 23 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) 2.33 6.06 -64.12 2 6 -1 90 313.333 5
Lo Low (pH 4.5-6) 2.33 5.32 -33.92 3 6 0 88 314.341 5

Activity (Go SEA)

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