UCSF

ZINC60062739

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 39 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) 8.65 16.64 -13.57 2 5 0 61 562.541 8
Hi High (pH 8-9.5) 8.74 15.07 -54.32 1 5 -1 68 561.533 8
Hi High (pH 8-9.5) 8.74 15.05 -56.69 1 5 -1 68 561.533 8

Activity (Go SEA)

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