UCSF

ZINC39326720

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 35 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) 5.09 8.62 -13.83 2 8 0 107 473.529 6
Lo Low (pH 4.5-6) 5.09 8.98 -56.96 3 8 1 109 474.537 6

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