UCSF

ZINC59415054

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 31 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) 7.25 9.65 -41.3 3 3 1 54 489.518 3
Hi High (pH 8-9.5) 7.25 11.21 -12.75 2 3 0 57 488.51 3

Activity (Go SEA)

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