UCSF

ZINC39741709

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 34 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) 2.54 8.69 -28.69 2 9 0 111 496.618 8
Lo Low (pH 4.5-6) 2.54 9.83 -45.76 3 9 1 112 497.626 8

Activity (Go SEA)

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