UCSF

ZINC17991315

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 22 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) 2.29 3.87 -16.22 2 6 0 88 323.418 4
Hi High (pH 8-9.5) 2.29 4.1 -54.89 1 6 -1 90 322.41 4
Hi High (pH 8-9.5) 2.29 4.09 -56.79 1 6 -1 90 322.41 4

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

No pre-computed analogs available. Try a structural similarity search.