UCSF

ZINC59710910

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 14 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) 0.38 2.92 -11.87 1 5 0 65 201.222 0
Lo Low (pH 4.5-6) 0.38 4.09 -48.54 2 5 1 69 202.23 0

Activity (Go SEA)

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