UCSF

ZINC48381850

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 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) 0.89 2.4 -20.73 2 8 0 121 299.308 6
Hi High (pH 8-9.5) 0.89 2.14 -56.11 1 8 -1 123 298.3 6

Activity (Go SEA)

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