UCSF

ZINC53671969

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.85 9.2 -55.49 1 6 1 72 379.502 5
Hi High (pH 8-9.5) 2.85 6.8 -13.04 0 6 0 71 378.494 5

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

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