UCSF

ZINC58305891

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 23 No

Download: MOL2 SDF SMILES Flexibase

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) 0.62 3.69 -62.42 3 6 1 59 338.501 5
Hi High (pH 8-9.5) 0.62 1.9 -9.84 2 6 0 54 337.493 5
Mid Mid (pH 6-8) 0.62 3.85 -109.89 4 6 2 60 339.509 5
Lo Low (pH 4.5-6) 0.62 5.71 -212.49 5 6 3 61 340.517 5

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

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