UCSF

ZINC45805869

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 20 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) 2.36 4.52 -46.5 4 5 1 77 298.794 8
Hi High (pH 8-9.5) 2.36 2.14 -8.78 3 5 0 75 297.786 8

Activity (Go SEA)

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