UCSF

ZINC40110042

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 37 No

Download: MOL2 SDF SMILES Flexibase

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) 5.87 14.64 -55.8 0 8 -1 115 499.543 10
Lo Low (pH 4.5-6) 5.87 13.89 -17.08 1 8 0 113 500.551 10

Activity (Go SEA)

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