UCSF

ZINC33820799

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 29 No

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Annotations

Vendors

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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) 2.96 8.79 -58.37 1 5 -1 94 403.539 4
Lo Low (pH 4.5-6) 2.96 6.81 -18.9 2 5 0 92 404.547 4

Activity (Go SEA)

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