UCSF

ZINC33725925

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) 4.87 13.95 -14.97 1 4 0 37 446.403 9
Lo Low (pH 4.5-6) 4.87 14.41 -53.43 2 4 1 39 447.411 9

Activity (Go SEA)

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