UCSF

ZINC05337329

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 28 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) 5.71 13.4 -13.04 0 4 0 47 385.492 3
Lo Low (pH 4.5-6) 5.71 13.28 -39.44 1 4 1 49 386.5 3

Activity (Go SEA)

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