UCSF

ZINC34859856

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 37 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) -0.28 13.49 -80.36 4 9 2 107 502.619 7
Hi High (pH 8-9.5) -0.21 12.49 -50.91 3 9 1 113 501.611 7

Activity (Go SEA)

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