UCSF

ZINC31921019

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 5.74 12.89 -9.85 0 2 0 17 320.823 2
Lo Low (pH 4.5-6) 5.74 13.3 -28.23 1 2 1 19 321.831 2

Activity (Go SEA)

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