UCSF

ZINC21819225

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) -0.23 2.87 -84.88 3 8 -1 130 261.217 3
Lo Low (pH 4.5-6) -0.23 3.33 -90.04 4 8 0 131 262.225 3

Activity (Go SEA)

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