UCSF

ZINC16546163

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 0.79 -1.15 -12.14 4 8 0 119 377.142 2
Lo Low (pH 4.5-6) 0.79 -0.89 -33.76 5 8 1 121 378.15 2
Lo Low (pH 4.5-6) 0.79 -5.27 -34.13 5 8 1 121 378.15 2

Activity (Go SEA)

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