UCSF

ZINC42920529

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 41 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) 6.39 15.46 -60.48 1 6 -1 104 567.787 5
Lo Low (pH 4.5-6) 6.39 13.49 -12.98 2 6 0 101 568.795 5

Activity (Go SEA)

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