UCSF

ZINC04229260

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 33 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) 3.86 10.49 -62.45 1 10 -1 163 446.347 4
Mid Mid (pH 6-8) 3.86 12 -135.1 0 10 -2 166 445.339 4
Mid Mid (pH 6-8) 3.86 9.94 -31.73 2 10 0 160 447.355 4

Activity (Go SEA)

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