UCSF

ZINC19884370

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 18 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) 1.72 3.67 -9.51 2 4 0 54 239.278 2
Mid Mid (pH 6-8) 1.72 4.07 -33.26 3 4 1 55 240.286 2

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