UCSF

ZINC39128095

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 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) 1.59 3.71 -36.85 2 2 1 25 170.207 2
Mid Mid (pH 6-8) 1.59 4.47 -36.44 1 2 0 27 169.199 2

Activity (Go SEA)

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