UCSF

ZINC05159937

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 22 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) 3.49 9.73 -49.15 0 4 -1 66 295.314 3
Mid Mid (pH 6-8) 3.94 3.56 -22.5 1 4 0 63 296.322 4
Mid Mid (pH 6-8) 2.91 4.15 -8.52 0 4 0 60 296.322 4

Activity (Go SEA)

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