UCSF

ZINC31935654

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 3.39 8 -12.49 2 4 0 58 339.464 5
Lo Low (pH 4.5-6) 3.39 9.42 -61.15 3 4 1 62 340.472 5

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