UCSF

ZINC37084116

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 2.19 5.85 -129.08 4 3 2 41 250.386 5
Hi High (pH 8-9.5) 2.19 6.48 -31.76 3 3 1 40 249.378 5
Mid Mid (pH 6-8) 2.19 4.07 -45.94 3 3 1 40 249.378 5

Activity (Go SEA)

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