UCSF

ZINC33820895

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 27 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) 5.63 10.42 -45.33 1 3 -1 60 375.573 4
Lo Low (pH 4.5-6) 5.63 8.44 -6.99 2 3 0 58 376.581 4

Activity (Go SEA)

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