UCSF

ZINC05322147

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 22 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) 1.96 8.29 -14.28 0 6 0 79 319.748 5
Lo Low (pH 4.5-6) 1.96 8.57 -46.15 1 6 1 80 320.756 5

Activity (Go SEA)

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