UCSF

ZINC59089375

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 15 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) 2.58 4.94 -39.63 4 4 1 63 216.349 9
Hi High (pH 8-9.5) 2.58 2.63 -4.82 3 4 0 62 215.341 9

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