UCSF

ZINC39676191

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 37 Yes

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) 1.60 7.64 -74.97 4 8 1 112 514.528 5
Hi High (pH 8-9.5) 2.05 5.07 -81.74 3 8 0 115 513.52 5

Activity (Go SEA)

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