UCSF

ZINC67446654

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 25 Yes

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) 2.86 7.94 -56.36 2 4 1 43 350.385 5
Hi High (pH 8-9.5) 2.86 5.71 -11.8 1 4 0 42 349.377 5
Hi High (pH 8-9.5) 2.86 6.61 -56.66 0 4 -1 45 348.369 5
Mid Mid (pH 6-8) 2.86 8.85 -77.12 1 4 0 46 349.377 5

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

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