UCSF

ZINC39266323

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 33 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) 4.44 12.43 -44.67 3 5 1 63 450.509 7
Hi High (pH 8-9.5) 4.63 10.32 -33.26 2 5 0 69 449.501 7

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