UCSF

ZINC62027117

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 38 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) 8.35 15.41 -155.71 7 4 3 70 517.826 10
Hi High (pH 8-9.5) 8.35 14.39 -73.99 6 4 2 66 516.818 10
Mid Mid (pH 6-8) 8.35 15.18 -71.52 6 4 2 69 516.818 10

Activity (Go SEA)

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