UCSF

ZINC67799330

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 14 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) -0.47 3 -47.08 2 5 1 63 201.246 3
Mid Mid (pH 6-8) -0.47 1.65 -5.2 1 5 0 59 200.238 3

Activity (Go SEA)

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